data_2ezq_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 2ezq _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 . 011 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.419 ' H1 ' ' H ' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.482 HE22 ' NE2' ' C' ' 2' ' ' GLN . 96.3 mm-40 -68.88 145.08 54.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.872 -1.142 . . . . 0.0 108.702 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -88.82 62.15 6.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.075 -1.015 . . . . 0.0 109.32 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -64.46 -40.17 95.2 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.351 -0.843 . . . . 0.0 109.028 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 t -59.96 -44.94 94.11 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.237 -0.914 . . . . 0.0 109.592 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.21 -42.16 94.55 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.7 mt -62.55 -40.04 95.57 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.551 -0.718 . . . . 0.0 109.358 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.61 91.96 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.77 -46.1 94.35 Favored Glycine 0 N--CA 1.487 2.089 0 N-CA-C 108.807 -1.717 . . . . 0.0 108.807 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.431 HG22 HD11 ' A' ' 10' ' ' ILE . 96.4 mt -60.14 -48.41 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.361 -1.082 . . . . 0.0 109.663 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.24 -42.95 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.032 -1.043 . . . . 0.0 109.322 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -60.98 -39.89 91.36 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.427 -0.795 . . . . 0.0 109.686 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.96 -41.72 92.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 109.374 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -61.99 -40.01 94.15 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.017 -1.052 . . . . 0.0 109.397 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.3 -45.66 92.6 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.308 -0.87 . . . . 0.0 109.314 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -61.99 -43.5 98.71 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.897 . . . . 0.0 109.611 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.57 -43.17 97.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.101 -1.0 . . . . 0.0 109.72 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.19 -43.23 96.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.121 -0.987 . . . . 0.0 109.289 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -59.98 -47.59 85.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.092 -1.005 . . . . 0.0 109.449 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.2 t -60.62 -40.09 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.306 -0.871 . . . . 0.0 109.965 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.53 -42.98 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.223 -0.923 . . . . 0.0 108.618 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.32 -40.17 96.58 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.446 -0.784 . . . . 0.0 109.01 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -60.8 -40.5 92.91 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.259 -0.901 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.67 -39.97 90.37 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.184 -0.948 . . . . 0.0 109.133 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -59.99 -50.05 75.26 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.38 -0.825 . . . . 0.0 109.622 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.38 -44.31 95.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.883 -1.135 . . . . 0.0 109.357 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.6 tp -60.24 -41.32 92.9 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.425 ' O ' ' OG1' ' A' ' 31' ' ' THR . 24.8 mt -60.84 -40.37 92.6 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.445 -0.784 . . . . 0.0 109.006 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.443 HH12 ' CD ' ' A' ' 97' ' ' GLU . 50.8 mtt-85 -62.14 -41.79 98.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.233 -0.917 . . . . 0.0 109.138 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.495 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 94.2 mt -61.89 -41.48 97.94 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.134 -0.979 . . . . 0.0 109.591 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 65.5 p -62.72 -40.05 95.97 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.179 -0.951 . . . . 0.0 110.002 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.43 -41.52 87.76 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.165 -0.96 . . . . 0.0 109.241 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -60.04 -41.55 92.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.091 -1.005 . . . . 0.0 110.36 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.06 -50.14 70.97 Favored Glycine 0 N--CA 1.483 1.79 0 C-N-CA 119.25 -1.452 . . . . 0.0 110.262 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -60.27 -50.11 74.92 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.036 -1.273 . . . . 0.0 110.719 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.51 -40.0 89.8 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.126 -0.984 . . . . 0.0 109.97 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.446 HD22 HH21 ' A' ' 41' ' ' ARG . 44.4 t-20 -60.01 -40.54 89.61 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.954 -1.092 . . . . 0.0 109.745 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.26 -40.59 90.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.067 -1.02 . . . . 0.0 109.905 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -60.04 -41.12 91.59 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.867 -1.146 . . . . 0.0 110.081 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.436 ' O ' ' OG1' ' A' ' 43' ' ' THR . 65.2 p -60.14 -42.18 94.28 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.935 -1.103 . . . . 0.0 108.695 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.506 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 41.7 mtt-85 -65.07 -39.87 93.85 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.95 -42.31 89.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.262 -0.899 . . . . 0.0 109.041 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 40' ' ' THR . 40.4 p -59.77 -40.35 87.91 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.759 -1.213 . . . . 0.0 109.825 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.03 96.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.086 -1.009 . . . . 0.0 108.935 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.06 -39.45 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.412 -0.805 . . . . 0.0 109.326 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.88 -40.35 88.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.033 -1.042 . . . . 0.0 109.898 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -64.14 -40.29 95.85 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.096 -1.003 . . . . 0.0 109.994 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 61.8 m-85 -67.46 -38.79 84.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.776 -1.203 . . . . 0.0 110.1 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.84 -39.89 86.7 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.735 -1.228 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -60.46 -39.61 88.2 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.888 -1.133 . . . . 0.0 108.765 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -60.03 -40.0 87.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.435 -0.791 . . . . 0.0 109.019 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 48' ' ' TYR . 0.9 OUTLIER -59.78 -39.65 85.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.077 -1.015 . . . . 0.0 109.436 179.595 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.75 -35.23 74.18 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.958 -1.089 . . . . 0.0 108.678 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.94 -39.69 86.4 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.157 -0.965 . . . . 0.0 109.002 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.8 mt -71.35 113.34 8.28 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.855 -1.153 . . . . 0.0 108.903 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -134.53 -70.77 0.5 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.248 -0.907 . . . . 0.0 109.821 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.88 100.9 3.13 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.381 -0.824 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.492 ' C ' ' H ' ' A' ' 60' ' ' ALA . 71.8 m95 -115.95 150.44 37.14 Favored 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 121.447 0.641 . . . . 0.0 110.442 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 55.06 7.46 1.12 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -76.24 23.89 0.14 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.184 -1.186 . . . . 0.0 109.273 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.97 113.87 3.06 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.111 -0.993 . . . . 0.0 109.871 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -106.82 13.09 28.27 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.406 -0.809 . . . . 0.0 110.175 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.654 HH21 HH21 ' C' ' 63' ' ' ARG . 42.6 mtt-85 -121.96 23.21 10.1 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 177.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.542 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -149.7 151.65 34.04 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.227 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.0 t -107.36 60.04 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.077 -1.014 . . . . 0.0 109.057 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.37 157.99 42.06 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.475 -0.765 . . . . 0.0 109.854 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -126.26 132.78 51.62 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.7 t -97.82 119.56 36.63 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-O 121.94 0.876 . . . . 0.0 110.499 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' THR . . . . . 0.419 ' O ' ' CG2' ' A' ' 69' ' ' THR . 15.0 t -115.36 121.19 42.06 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.6 t -124.98 86.34 56.72 Favored Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 121.478 -0.764 . . . . 0.0 109.58 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -83.92 66.35 7.14 Favored 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 122.669 2.246 . . . . 0.0 111.91 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' PRO . 22.7 t90 -69.57 132.64 89.17 Favored Pre-proline 0 N--CA 1.488 1.471 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.416 ' C ' ' O ' ' A' ' 72' ' ' TRP . 80.1 Cg_exo -40.01 148.69 0.15 Allowed 'Trans proline' 0 C--N 1.316 -1.156 0 C-N-CA 121.22 1.28 . . . . 0.0 111.147 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.554 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 8.4 t-20 -130.3 -53.65 1.1 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.21 124.07 33.48 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.0 m -80.46 110.06 15.55 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.008 -1.077 . . . . 0.0 108.173 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.8 mt -79.69 136.82 36.89 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.62 0.724 . . . . 0.0 109.75 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.7 t -89.64 114.5 60.82 Favored Pre-proline 0 C--N 1.298 -1.641 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -90.54 -47.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 1.023 0 C-N-CA 121.738 1.626 . . . . 0.0 113.664 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -122.1 -43.87 2.31 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -177.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.609 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.8 p90 -60.21 -47.44 85.93 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.306 -1.496 . . . . 0.0 112.749 -175.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.609 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.9 t30 -73.85 -46.99 41.54 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 119.893 -1.754 . . . . 0.0 110.697 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -60.18 -50.07 75.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.061 -1.024 . . . . 0.0 110.4 -177.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.6 -43.43 98.84 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.613 -1.305 . . . . 0.0 109.553 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.442 ' HG1' ' N ' ' A' ' 86' ' ' TRP . 69.3 p -69.71 -39.96 76.56 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.252 -0.905 . . . . 0.0 109.713 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.442 ' N ' ' HG1' ' A' ' 85' ' ' THR . 35.0 t-105 -68.96 -40.02 79.12 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 120.879 -1.138 . . . . 0.0 109.475 -179.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.13 -41.76 93.35 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.628 -1.295 . . . . 0.0 108.771 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.31 -41.18 96.57 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.038 -1.039 . . . . 0.0 108.566 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.491 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 71.6 t90 -60.12 -50.04 75.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.479 -0.763 . . . . 0.0 109.154 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.63 -42.47 98.93 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.225 -0.922 . . . . 0.0 109.819 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -61.96 -41.69 98.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.105 -0.997 . . . . 0.0 110.549 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -60.39 -41.07 93.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.847 -1.158 . . . . 0.0 109.268 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.45 -40.22 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 O-C-N 121.437 -0.789 . . . . 0.0 109.447 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.37 -40.65 97.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.278 -0.889 . . . . 0.0 110.871 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -69.86 -40.18 75.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.869 -1.144 . . . . 0.0 109.569 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.24 -40.02 82.11 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.928 -1.108 . . . . 0.0 108.843 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.443 ' CD ' HH12 ' A' ' 29' ' ' ARG . 88.5 tt0 -60.65 -45.49 93.89 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.145 -0.972 . . . . 0.0 109.835 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.63 -40.03 95.85 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.132 -0.98 . . . . 0.0 109.562 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -64.46 -40.03 94.93 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.406 -0.809 . . . . 0.0 110.263 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.2 mt -66.02 -40.2 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.99 -1.069 . . . . 0.0 109.47 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.4 p -63.34 -42.05 98.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.048 -1.032 . . . . 0.0 109.647 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.5 84.69 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.089 -1.007 . . . . 0.0 109.348 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.45 -46.17 91.03 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.444 -0.785 . . . . 0.0 109.471 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.85 -41.3 97.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.045 -1.035 . . . . 0.0 109.818 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.1 -46.39 89.77 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.222 -0.923 . . . . 0.0 108.96 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.86 -42.37 99.73 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.351 -0.843 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.432 ' N ' HE22 ' C' ' 16' ' ' GLN . . . -60.56 -43.04 97.69 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.261 -0.899 . . . . 0.0 109.997 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.49 -43.09 97.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.25 -0.906 . . . . 0.0 109.988 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.23 -41.78 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.138 -0.976 . . . . 0.0 109.489 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -69.85 -40.17 75.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.033 -1.042 . . . . 0.0 109.558 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.03 -49.7 76.65 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.125 -0.984 . . . . 0.0 109.236 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.95 -42.45 99.12 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.247 -0.908 . . . . 0.0 109.35 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -62.26 -40.19 95.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.328 -0.858 . . . . 0.0 110.135 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -65.59 -41.62 92.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.878 -1.139 . . . . 0.0 109.256 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 60.5 ttm -70.03 -40.05 75.41 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.281 -0.887 . . . . 0.0 109.022 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.94 -45.99 90.85 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.208 -0.933 . . . . 0.0 108.758 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.79 -40.04 93.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.0 109.103 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.01 -40.35 88.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.319 -0.863 . . . . 0.0 109.106 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.8 mt-30 -61.65 -40.26 94.27 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.384 -0.823 . . . . 0.0 109.785 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -59.95 -39.98 87.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.296 -0.877 . . . . 0.0 109.377 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.2 mt -59.22 -47.31 85.83 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -130.03 62.41 1.56 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.456 -0.777 . . . . 0.0 109.708 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.053 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.451 ' H1 ' ' H ' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.451 ' H ' ' H1 ' ' B' ' 1' ' ' ALA . 96.1 mm-40 -68.99 144.89 54.0 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.035 -1.041 . . . . 0.0 108.615 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -88.6 61.89 6.27 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.12 -0.987 . . . . 0.0 109.462 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -64.26 -40.02 95.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.203 -0.936 . . . . 0.0 109.058 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.4 t -60.11 -45.4 93.12 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.28 -0.888 . . . . 0.0 109.341 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 58.8 tp -59.96 -41.89 92.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.102 -0.998 . . . . 0.0 108.405 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.08 -39.84 95.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.55 -0.719 . . . . 0.0 109.242 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.33 93.13 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.104 -0.998 . . . . 0.0 108.447 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.56 -46.25 94.16 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.818 -1.713 . . . . 0.0 108.818 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.43 HG22 HD11 ' B' ' 10' ' ' ILE . 96.4 mt -60.1 -48.61 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.27 -1.135 . . . . 0.0 109.631 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 69.8 t -60.12 -42.91 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.147 -0.97 . . . . 0.0 109.241 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -61.12 -39.85 91.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.366 -0.834 . . . . 0.0 109.792 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.98 -42.18 93.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.36 -0.838 . . . . 0.0 109.21 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -61.46 -40.04 93.06 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.15 -0.969 . . . . 0.0 109.509 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.4 -45.94 91.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.856 . . . . 0.0 109.354 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -61.37 -44.16 97.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.229 -0.919 . . . . 0.0 109.499 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.31 -43.28 96.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.143 -0.973 . . . . 0.0 109.694 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.5 tp -59.96 -43.41 95.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.114 -0.991 . . . . 0.0 109.234 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -60.15 -47.27 86.63 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.143 -0.973 . . . . 0.0 109.397 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 88.7 t -60.66 -40.6 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.22 -0.925 . . . . 0.0 109.786 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.13 -43.25 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.271 -0.893 . . . . 0.0 108.598 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -62.93 -40.32 97.27 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -60.73 -40.55 92.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.47 -0.769 . . . . 0.0 109.111 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.89 -39.96 91.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.191 -0.943 . . . . 0.0 109.243 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -59.95 -49.99 75.53 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.17 -0.956 . . . . 0.0 109.586 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -60.26 -44.74 95.03 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.091 -1.006 . . . . 0.0 108.985 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 43.4 tp -60.0 -41.41 92.02 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.195 -0.941 . . . . 0.0 108.584 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.418 ' O ' ' OG1' ' B' ' 31' ' ' THR . 24.5 mt -60.45 -40.41 91.06 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.333 -0.854 . . . . 0.0 109.163 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.445 HH12 ' CD ' ' B' ' 97' ' ' GLU . 49.8 mtt-85 -62.21 -41.52 98.45 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.24 -0.912 . . . . 0.0 109.152 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.451 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.6 mt -62.26 -41.18 98.22 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.896 -1.128 . . . . 0.0 109.614 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 64.3 p -62.83 -40.13 96.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.263 -0.898 . . . . 0.0 110.104 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.11 -41.45 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.381 -0.824 . . . . 0.0 109.612 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -60.13 -41.91 93.69 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.312 -0.868 . . . . 0.0 110.372 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -50.3 69.23 Favored Glycine 0 N--CA 1.487 2.084 0 C-N-CA 119.486 -1.34 . . . . 0.0 110.079 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.06 -50.06 75.2 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.095 -1.238 . . . . 0.0 110.729 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -60.71 -40.25 91.57 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.215 -0.928 . . . . 0.0 109.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.44 HD22 HH21 ' B' ' 41' ' ' ARG . 44.6 t-20 -59.94 -40.45 88.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.138 -0.976 . . . . 0.0 109.521 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.55 -40.21 90.76 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.982 . . . . 0.0 110.163 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -60.23 -40.76 91.35 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.853 -1.154 . . . . 0.0 110.045 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' B' ' 43' ' ' THR . 59.5 p -60.17 -42.12 94.29 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.249 -0.98 . . . . 0.0 108.704 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.474 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 42.0 mtt-85 -65.57 -40.03 92.34 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.297 -0.877 . . . . 0.0 108.873 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.1 -41.42 86.42 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.25 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' B' ' 40' ' ' THR . 39.5 p -60.54 -40.02 90.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.955 -1.091 . . . . 0.0 109.592 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.03 97.51 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.027 -1.046 . . . . 0.0 108.896 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.15 -39.76 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.459 -0.776 . . . . 0.0 109.28 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.65 -40.02 86.29 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.208 -0.933 . . . . 0.0 109.8 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -64.4 -40.07 95.09 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.034 -1.041 . . . . 0.0 110.233 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 61.1 m-85 -67.62 -38.53 84.04 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.089 -1.007 . . . . 0.0 109.856 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.1 -39.91 87.82 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.746 -1.221 . . . . 0.0 109.365 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.2 -39.97 88.43 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.968 -1.083 . . . . 0.0 108.737 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -59.9 -39.77 86.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.25 -0.906 . . . . 0.0 109.118 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' B' ' 48' ' ' TYR . 0.9 OUTLIER -60.03 -39.85 87.32 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.069 -1.019 . . . . 0.0 109.288 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.14 -35.28 73.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.001 -1.062 . . . . 0.0 108.823 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -59.85 -39.59 85.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.144 -0.972 . . . . 0.0 108.915 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.6 mt -71.65 113.52 8.77 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.918 -1.114 . . . . 0.0 108.861 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 35.2 m120 -134.56 -70.6 0.5 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.401 -0.812 . . . . 0.0 109.841 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.91 100.72 3.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.338 -0.851 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' TRP . . . . . 0.482 ' C ' ' H ' ' B' ' 60' ' ' ALA . 72.9 m95 -115.53 150.45 36.56 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.581 -0.7 . . . . 0.0 110.277 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.493 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 55.42 6.74 1.09 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' B' ' 58' ' ' TRP . . . -75.88 24.23 0.13 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.111 -1.229 . . . . 0.0 109.359 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.493 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.08 113.83 3.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.848 . . . . 0.0 110.018 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -106.97 13.25 27.81 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.338 -0.851 . . . . 0.0 110.334 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.737 HH21 HH21 ' C' ' 63' ' ' ARG . 41.7 mtt-85 -121.92 23.3 10.08 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 177.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . 0.542 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.8 151.65 33.9 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.158 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.6 t -107.52 59.73 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.12 -0.988 . . . . 0.0 109.015 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.45 158.1 43.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.479 -0.763 . . . . 0.0 109.805 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -126.44 132.68 51.42 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 4.8 t -97.84 119.42 36.41 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 121.787 0.803 . . . . 0.0 110.406 -178.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' THR . . . . . 0.426 ' O ' ' CG2' ' B' ' 69' ' ' THR . 14.9 t -115.39 120.57 40.01 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.412 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 92.1 t -124.38 86.66 54.7 Favored Pre-proline 0 N--CA 1.498 1.962 0 O-C-N 121.337 -0.852 . . . . 0.0 109.588 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -84.12 66.46 6.98 Favored 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.077 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' B' ' 73' ' ' PRO . 22.0 t90 -69.54 132.92 89.09 Favored Pre-proline 0 N--CA 1.489 1.494 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.401 ' C ' ' O ' ' B' ' 72' ' ' TRP . 82.1 Cg_exo -40.3 148.66 0.17 Allowed 'Trans proline' 0 C--N 1.317 -1.116 0 C-N-CA 121.179 1.253 . . . . 0.0 111.082 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.544 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 8.5 t-20 -130.29 -53.78 1.1 Allowed 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.08 124.14 33.47 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 9.5 m -80.49 109.99 15.52 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.801 -1.187 . . . . 0.0 108.066 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.7 mt -79.2 136.92 37.23 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.617 0.722 . . . . 0.0 109.658 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 5.8 t -89.69 115.3 63.51 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -91.34 -47.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.033 0 C-N-CA 121.736 1.624 . . . . 0.0 113.699 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.88 -44.33 2.31 Favored 'General case' 0 N--CA 1.507 2.416 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.607 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -60.11 -47.02 87.63 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.261 -1.524 . . . . 0.0 112.88 -175.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.607 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 65.0 t30 -74.25 -47.05 37.61 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 119.999 -1.688 . . . . 0.0 110.631 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -59.9 -50.14 74.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.078 -1.014 . . . . 0.0 110.58 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -62.87 -43.27 99.23 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.779 -1.2 . . . . 0.0 109.378 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.452 ' HG1' ' N ' ' B' ' 86' ' ' TRP . 68.4 p -69.72 -40.11 76.43 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.211 -0.931 . . . . 0.0 109.764 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . 0.452 ' N ' ' HG1' ' B' ' 85' ' ' THR . 34.7 t-105 -68.68 -40.02 80.3 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.882 -1.136 . . . . 0.0 109.504 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.14 -41.25 92.32 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 118.625 -1.23 . . . . 0.0 108.845 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.64 -41.52 97.62 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.062 -1.024 . . . . 0.0 108.583 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.495 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 70.4 t90 -60.13 -49.86 75.99 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.52 -0.738 . . . . 0.0 109.089 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -61.52 -42.99 99.63 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.345 -0.847 . . . . 0.0 109.941 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -61.16 -42.26 98.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.173 -0.954 . . . . 0.0 110.472 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -60.34 -41.05 92.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.959 -1.088 . . . . 0.0 109.279 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.0 t -63.39 -40.26 88.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.537 -0.727 . . . . 0.0 109.457 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -62.33 -40.85 97.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.141 -0.974 . . . . 0.0 110.649 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -69.62 -39.82 76.95 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.724 -1.235 . . . . 0.0 109.73 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.2 -40.48 82.16 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.078 -1.014 . . . . 0.0 108.736 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . 0.445 ' CD ' HH12 ' B' ' 29' ' ' ARG . 88.7 tt0 -60.69 -46.02 91.98 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.25 -0.906 . . . . 0.0 109.573 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.31 -40.02 96.19 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.936 -1.103 . . . . 0.0 109.397 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -64.49 -40.21 95.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.307 -0.87 . . . . 0.0 110.408 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.9 mt -66.05 -40.27 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.122 -0.986 . . . . 0.0 109.483 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 42.0 p -62.86 -42.87 99.92 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.935 -1.103 . . . . 0.0 109.688 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.3 84.16 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.078 -1.014 . . . . 0.0 109.335 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.51 -45.74 92.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.332 -0.855 . . . . 0.0 109.49 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.97 -41.34 97.9 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.016 -1.052 . . . . 0.0 109.753 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.13 -46.16 90.58 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.199 -0.938 . . . . 0.0 108.924 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.87 -42.33 99.72 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.291 -0.881 . . . . 0.0 109.38 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.07 98.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.897 . . . . 0.0 109.859 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.29 -43.13 96.54 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.154 -0.966 . . . . 0.0 109.983 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.69 -41.53 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.396 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -69.97 -40.32 75.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.125 -0.985 . . . . 0.0 109.436 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -59.83 -50.02 75.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.255 -0.903 . . . . 0.0 109.603 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.63 -42.89 99.53 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.341 -0.849 . . . . 0.0 109.163 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -62.05 -40.49 95.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.305 -0.872 . . . . 0.0 110.189 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -65.24 -41.8 93.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.741 -1.225 . . . . 0.0 109.387 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 60.4 ttm -69.76 -40.1 76.31 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.366 -0.834 . . . . 0.0 108.817 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.97 -45.87 91.28 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.236 -0.915 . . . . 0.0 108.745 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.66 -40.13 93.84 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.353 -0.842 . . . . 0.0 109.222 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.97 -40.7 89.95 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.454 -0.779 . . . . 0.0 109.039 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' B' ' 123' ' ' SER . 98.1 mt-30 -61.38 -40.3 93.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 110.068 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -60.12 -39.72 87.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.292 -0.88 . . . . 0.0 109.318 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.5 -47.09 86.87 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -130.08 62.12 1.57 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.514 -0.741 . . . . 0.0 109.716 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.515 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.135 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . 0.429 ' H1 ' ' H ' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . 0.482 ' NE2' HE22 ' A' ' 2' ' ' GLN . 96.3 mm-40 -68.9 145.06 53.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.133 -0.98 . . . . 0.0 108.411 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -88.99 61.92 6.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.146 -0.971 . . . . 0.0 109.223 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 42.0 mtm-85 -64.24 -40.14 95.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.229 -0.919 . . . . 0.0 108.96 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t -60.07 -45.03 94.25 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.271 -0.893 . . . . 0.0 109.543 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.19 -41.83 93.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.116 -0.99 . . . . 0.0 108.423 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 20.8 mt -63.01 -40.08 96.71 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.5 92.53 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.544 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.29 -46.5 93.78 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.01 -48.75 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.203 -1.175 . . . . 0.0 109.696 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.07 -42.65 90.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.008 -1.057 . . . . 0.0 109.233 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -61.51 -39.64 91.73 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.225 -0.922 . . . . 0.0 109.506 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.85 -42.4 93.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.061 -1.025 . . . . 0.0 109.328 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -61.42 -40.08 93.12 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.125 -0.984 . . . . 0.0 109.262 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.22 -46.15 90.75 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.0 109.351 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.432 HE22 ' N ' ' A' ' 107' ' ' ALA . 28.7 mt-30 -61.6 -43.39 98.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.151 -0.968 . . . . 0.0 109.589 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.66 -43.64 97.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.436 -0.79 . . . . 0.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.03 -43.23 95.44 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.093 -1.004 . . . . 0.0 109.362 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -60.0 -47.46 85.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.976 -1.077 . . . . 0.0 109.481 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 94.6 t -60.49 -40.18 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.244 -0.91 . . . . 0.0 109.98 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.24 -43.14 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.121 -0.987 . . . . 0.0 108.611 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -63.08 -40.24 97.06 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.43 -0.794 . . . . 0.0 109.144 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -60.67 -40.8 93.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.389 -0.82 . . . . 0.0 109.191 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.92 -40.0 91.53 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.153 -0.967 . . . . 0.0 109.391 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -60.02 -49.51 77.39 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.171 -0.956 . . . . 0.0 109.585 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.68 -44.27 96.7 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.901 -1.124 . . . . 0.0 109.174 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.19 -41.38 92.83 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . 0.41 ' O ' ' OG1' ' C' ' 31' ' ' THR . 25.5 mt -61.02 -40.23 92.79 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.271 -0.893 . . . . 0.0 108.975 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . 0.448 HH12 ' CD ' ' C' ' 97' ' ' GLU . 50.8 mtt-85 -62.17 -41.68 98.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.175 -0.953 . . . . 0.0 109.331 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.491 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 93.6 mt -62.1 -41.54 98.31 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.067 -1.02 . . . . 0.0 109.641 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' C' ' 28' ' ' LEU . 62.9 p -62.64 -40.24 96.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.071 -1.018 . . . . 0.0 109.854 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.14 -41.72 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.248 -0.907 . . . . 0.0 109.546 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -59.81 -41.77 92.01 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.125 -0.984 . . . . 0.0 110.373 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.82 -50.54 66.54 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.41 -1.376 . . . . 0.0 110.281 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.2 -50.01 75.38 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.04 -1.27 . . . . 0.0 110.759 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.74 -40.09 91.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.991 -1.068 . . . . 0.0 109.989 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.446 HD22 HH21 ' C' ' 41' ' ' ARG . 44.0 t-20 -60.06 -40.29 88.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.05 -1.031 . . . . 0.0 109.428 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.51 -40.18 90.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.884 -1.135 . . . . 0.0 110.017 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.45 -40.57 91.64 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.97 -1.081 . . . . 0.0 110.145 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.425 ' O ' ' OG1' ' C' ' 43' ' ' THR . 69.6 p -60.34 -42.03 94.83 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.011 -1.056 . . . . 0.0 108.617 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.523 ' NH2' ' CG ' ' A' ' 82' ' ' ASN . 41.5 mtt-85 -65.64 -40.02 92.08 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.01 -41.67 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.159 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' C' ' 40' ' ' THR . 40.0 p -60.03 -40.38 89.15 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.807 -1.183 . . . . 0.0 109.794 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.58 -42.81 97.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.994 -1.066 . . . . 0.0 108.951 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.99 -39.86 81.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.365 -0.835 . . . . 0.0 109.273 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.45 -40.17 85.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.146 -0.971 . . . . 0.0 110.067 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -64.01 -40.26 95.95 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.982 -1.074 . . . . 0.0 109.998 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 62.1 m-85 -67.75 -38.57 83.67 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.893 -1.13 . . . . 0.0 109.889 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 83.1 mt -59.87 -40.1 87.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.663 -1.273 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -60.09 -39.83 87.45 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.934 -1.104 . . . . 0.0 108.685 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -60.04 -39.87 87.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.24 -0.913 . . . . 0.0 109.078 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' C' ' 48' ' ' TYR . 0.9 OUTLIER -59.84 -39.86 86.56 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.868 -1.145 . . . . 0.0 109.275 179.619 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.28 -35.5 73.84 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.859 -1.151 . . . . 0.0 108.739 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.99 -39.65 86.47 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.228 -0.92 . . . . 0.0 108.837 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 70.0 mt -71.4 113.32 8.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.876 -1.14 . . . . 0.0 108.984 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 35.1 m120 -134.53 -70.3 0.51 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.408 -0.807 . . . . 0.0 109.803 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.17 101.64 3.16 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.41 -0.806 . . . . 0.0 109.187 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 58' ' ' TRP . . . . . 0.479 ' C ' ' H ' ' C' ' 60' ' ' ALA . 72.1 m95 -116.74 150.72 37.77 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.571 -0.706 . . . . 0.0 110.255 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 54.95 7.19 0.96 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -76.23 24.01 0.14 Allowed 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.122 -1.222 . . . . 0.0 109.246 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 61' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.03 113.7 3.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.08 -1.013 . . . . 0.0 109.837 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -106.79 13.24 28.14 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.391 -0.818 . . . . 0.0 110.2 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . 0.737 HH21 HH21 ' B' ' 63' ' ' ARG . 44.2 mtt-85 -121.87 23.39 10.09 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 177.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . 0.524 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -150.15 151.43 33.1 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 179.256 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 6.7 t -107.18 59.91 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.112 -0.992 . . . . 0.0 109.053 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.88 158.16 42.84 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.411 -0.805 . . . . 0.0 109.918 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -126.68 132.57 51.15 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 4.9 t -97.63 119.83 36.92 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.292 -0.88 . . . . 0.0 110.539 -178.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 69' ' ' THR . . . . . 0.417 ' O ' ' CG2' ' C' ' 69' ' ' THR . 15.3 t -115.74 120.98 41.1 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.41 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 94.6 t -124.62 86.53 55.48 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 121.347 -0.846 . . . . 0.0 109.615 -179.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -84.11 66.08 7.0 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.732 2.288 . . . . 0.0 112.017 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.412 ' O ' ' C ' ' C' ' 73' ' ' PRO . 22.2 t90 -69.38 132.65 89.53 Favored Pre-proline 0 C--N 1.301 -1.533 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' C' ' 72' ' ' TRP . 79.8 Cg_exo -40.2 148.39 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.205 0 C-N-CA 121.335 1.357 . . . . 0.0 111.0 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.531 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 8.8 t-20 -129.97 -53.07 1.13 Allowed 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.45 124.0 33.54 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.8 m -80.4 110.28 15.7 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.794 -1.191 . . . . 0.0 108.078 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 mt -79.96 136.86 36.72 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.748 0.785 . . . . 0.0 109.716 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 5.9 t -89.67 114.73 61.73 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.664 -0.648 . . . . 0.0 109.366 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -90.73 -47.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.031 0 C-N-CA 121.697 1.598 . . . . 0.0 113.809 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -122.08 -44.28 2.29 Favored 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -177.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.599 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.5 p90 -59.84 -47.32 86.21 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.375 -1.453 . . . . 0.0 112.882 -175.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.599 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.0 t30 -74.59 -46.55 37.94 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 119.864 -1.773 . . . . 0.0 110.569 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -60.09 -50.02 75.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.02 -1.05 . . . . 0.0 110.677 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -63.04 -42.95 99.86 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.702 -1.249 . . . . 0.0 109.412 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 85' ' ' THR . . . . . 0.435 ' HG1' ' N ' ' C' ' 86' ' ' TRP . 71.1 p -70.1 -39.99 75.21 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.198 -0.939 . . . . 0.0 109.82 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . 0.435 ' N ' ' HG1' ' C' ' 85' ' ' THR . 35.5 t-105 -68.82 -40.1 79.69 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.354 -179.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.09 -41.81 93.27 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.644 -1.285 . . . . 0.0 108.751 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.01 -41.78 97.19 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.956 -1.09 . . . . 0.0 108.474 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.451 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 71.1 t90 -60.04 -49.86 76.0 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.36 -42.74 99.19 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.342 -0.849 . . . . 0.0 109.921 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.65 -41.97 98.26 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.186 -0.946 . . . . 0.0 110.454 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -60.12 -42.02 93.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.94 -1.1 . . . . 0.0 109.171 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.67 -40.43 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.398 -0.814 . . . . 0.0 109.395 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.17 -40.42 95.96 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.2 -0.937 . . . . 0.0 110.895 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -69.99 -39.93 75.62 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.975 -1.078 . . . . 0.0 109.723 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.51 -40.0 81.01 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.114 -0.991 . . . . 0.0 108.815 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . 0.448 ' CD ' HH12 ' C' ' 29' ' ' ARG . 88.6 tt0 -60.82 -46.01 92.21 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 121.138 -0.976 . . . . 0.0 109.617 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.35 -40.24 96.75 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.003 -1.061 . . . . 0.0 109.459 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -64.14 -40.43 96.14 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.377 -0.827 . . . . 0.0 110.333 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.83 -40.44 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.079 -1.013 . . . . 0.0 109.523 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 44.1 p -63.1 -42.02 99.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.015 -1.053 . . . . 0.0 109.703 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.82 -46.59 84.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.09 -1.006 . . . . 0.0 109.187 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.41 -46.54 89.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.41 -0.806 . . . . 0.0 109.453 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.46 -41.5 97.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.042 -1.036 . . . . 0.0 109.806 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.0 -46.15 90.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.268 -0.895 . . . . 0.0 108.978 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.85 -42.27 99.68 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.6 98.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.332 -0.855 . . . . 0.0 110.008 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.79 -42.95 98.56 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.924 -1.11 . . . . 0.0 109.99 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.43 -41.85 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.132 -0.98 . . . . 0.0 109.448 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -69.85 -40.12 75.98 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -59.99 -49.9 75.86 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.194 -0.942 . . . . 0.0 109.352 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.8 -42.31 98.85 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.324 -0.86 . . . . 0.0 109.325 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -62.58 -40.26 96.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.281 -0.887 . . . . 0.0 110.126 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -65.53 -41.83 92.63 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.009 -1.057 . . . . 0.0 109.326 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 60.5 ttm -69.82 -39.97 76.18 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.355 -0.841 . . . . 0.0 108.791 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.86 -46.49 89.14 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.37 -0.831 . . . . 0.0 108.792 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.24 -40.05 92.59 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.456 -0.778 . . . . 0.0 109.19 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.04 -40.66 90.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.398 -0.813 . . . . 0.0 109.071 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.8 mt-30 -61.36 -40.42 94.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.887 . . . . 0.0 109.786 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -60.06 -39.3 85.53 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.09 -1.006 . . . . 0.0 109.307 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.62 -46.92 87.55 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -130.41 62.34 1.58 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.388 -0.82 . . . . 0.0 109.494 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.494 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 118.113 -0.946 . . . . 0.0 108.906 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.524 HE22 HE22 ' B' ' 2' ' ' GLN . 97.3 mm-40 -69.96 145.17 52.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.259 -0.9 . . . . 0.0 109.116 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -88.23 61.64 6.33 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.14 -0.975 . . . . 0.0 109.147 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.46 ' HG2' HH11 ' A' ' 4' ' ' ARG . 30.2 mtt-85 -65.1 -39.91 93.82 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.401 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 9.9 t -60.04 -44.38 94.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.331 -0.856 . . . . 0.0 109.545 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.401 ' N ' ' CG2' ' A' ' 5' ' ' THR . 59.6 tp -60.09 -45.3 93.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.94 -1.1 . . . . 0.0 108.66 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.7 mt -59.98 -39.99 87.56 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.52 -0.738 . . . . 0.0 109.567 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.95 87.13 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.131 -0.98 . . . . 0.0 108.569 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.02 64.22 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.99 -46.72 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.412 -1.051 . . . . 0.0 109.542 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.96 -46.61 93.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.007 -1.058 . . . . 0.0 109.266 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.76 -39.93 90.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.326 -0.858 . . . . 0.0 109.991 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.06 -40.77 90.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.021 -1.05 . . . . 0.0 108.933 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -62.25 -41.34 98.35 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.049 -1.032 . . . . 0.0 109.261 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -61.42 -42.63 99.05 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.012 -1.055 . . . . 0.0 108.674 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.04 -40.83 98.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.312 -0.868 . . . . 0.0 109.495 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.43 -39.98 92.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.154 -0.967 . . . . 0.0 109.212 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.63 -42.98 99.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.349 -0.845 . . . . 0.0 109.294 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -60.02 -48.99 79.41 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.25 -0.907 . . . . 0.0 109.778 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.98 -40.25 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.161 -0.962 . . . . 0.0 109.707 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.06 -43.2 92.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.24 -0.913 . . . . 0.0 108.89 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -63.17 -40.45 97.58 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.9 mtt-85 -60.35 -40.05 89.34 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.3 -0.875 . . . . 0.0 109.536 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.09 -40.05 88.25 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.082 -1.011 . . . . 0.0 109.189 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -59.93 -46.11 90.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.068 -1.02 . . . . 0.0 109.428 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.28 -41.82 98.82 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.153 -0.967 . . . . 0.0 109.957 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 tp -61.12 -40.47 93.9 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.222 -0.924 . . . . 0.0 109.7 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.18 -40.02 88.55 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.906 . . . . 0.0 109.403 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.482 HH12 ' CD ' ' A' ' 97' ' ' GLU . 35.0 mtt-85 -60.0 -40.09 88.01 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.203 -0.936 . . . . 0.0 109.048 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.456 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 15.3 mt -64.9 -40.03 94.45 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.004 -1.06 . . . . 0.0 109.813 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.8 p -65.11 -40.0 93.9 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.933 -1.105 . . . . 0.0 109.739 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.61 -40.0 85.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.246 -0.909 . . . . 0.0 109.005 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -60.05 -43.42 95.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.399 -0.813 . . . . 0.0 110.268 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.3 -49.28 80.31 Favored Glycine 0 N--CA 1.49 2.26 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.353 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -60.0 -50.03 75.36 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.111 -1.229 . . . . 0.0 110.133 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -60.01 -40.08 88.0 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.16 -0.962 . . . . 0.0 110.019 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.583 HD22 HH21 ' A' ' 41' ' ' ARG . 39.9 t30 -60.04 -40.61 89.96 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.086 -1.009 . . . . 0.0 109.701 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.21 -39.95 88.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.16 -0.963 . . . . 0.0 109.736 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -60.0 -41.95 93.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.028 -1.045 . . . . 0.0 109.882 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 43' ' ' THR . 40.4 p -60.48 -41.31 93.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.717 -1.239 . . . . 0.0 108.642 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.583 HH21 HD22 ' A' ' 37' ' ' ASN . 35.0 mtt-85 -64.32 -39.81 94.64 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.0 -42.59 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.391 -0.818 . . . . 0.0 109.293 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 40' ' ' THR . 71.6 p -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.056 -1.027 . . . . 0.0 109.968 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.86 92.81 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.105 -0.997 . . . . 0.0 108.966 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.64 -38.65 79.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.478 -0.764 . . . . 0.0 109.408 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.166 -0.959 . . . . 0.0 108.826 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -59.99 -44.13 94.72 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.519 -0.738 . . . . 0.0 109.623 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 68.0 m-85 -68.31 -38.36 81.52 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.174 -0.954 . . . . 0.0 109.752 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.9 -40.09 87.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.041 -1.037 . . . . 0.0 108.869 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -59.95 -40.02 87.57 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.684 -1.26 . . . . 0.0 108.223 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -60.0 -39.02 84.32 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.256 -0.903 . . . . 0.0 108.736 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.622 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.77 -40.06 86.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 109.044 179.751 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.622 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -58.25 -35.58 71.94 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.002 -1.061 . . . . 0.0 108.938 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.96 -39.87 87.08 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.197 -0.939 . . . . 0.0 109.172 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.6 mt -73.74 113.09 10.48 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.004 -1.06 . . . . 0.0 109.124 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 26.5 m120 -133.41 -70.1 0.54 Allowed 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.367 -0.833 . . . . 0.0 109.05 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.89 88.02 1.51 Allowed 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.52 ' C ' ' H ' ' A' ' 60' ' ' ALA . 60.6 m95 -103.2 151.07 23.06 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.307 -0.87 . . . . 0.0 110.944 -178.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.515 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 51.49 9.42 0.43 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -74.87 23.73 0.1 Allowed 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.296 -1.12 . . . . 0.0 108.877 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.515 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -155.57 109.85 2.88 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.158 -0.964 . . . . 0.0 110.217 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -105.05 12.84 31.73 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.266 -0.896 . . . . 0.0 109.739 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.497 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -117.64 21.89 12.7 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 177.695 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.497 ' NE2' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -151.02 152.57 33.68 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 179.358 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -107.1 60.13 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.043 -1.035 . . . . 0.0 109.222 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.1 157.88 43.32 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.216 -0.927 . . . . 0.0 109.436 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -124.88 133.0 53.24 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.2 t -97.54 120.08 37.25 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.33 -0.856 . . . . 0.0 110.759 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.52 121.88 44.85 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.419 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 59.8 t -129.41 87.77 52.34 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.269 -0.894 . . . . 0.0 109.232 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -84.67 67.3 6.43 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.788 2.325 . . . . 0.0 112.266 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.417 ' O ' ' C ' ' A' ' 73' ' ' PRO . 32.6 t90 -69.03 130.16 91.64 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.459 -0.776 . . . . 0.0 109.096 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' TRP . 91.5 Cg_exo -39.2 148.33 0.12 Allowed 'Trans proline' 0 N--CA 1.487 1.138 0 C-N-CA 121.337 1.358 . . . . 0.0 111.473 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.555 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 19.5 t-20 -127.34 -52.63 1.39 Allowed 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.03 125.12 34.38 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.2 t -81.81 106.65 13.91 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.9 mt -80.71 135.8 36.07 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.682 0.753 . . . . 0.0 110.273 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.7 t -92.58 113.94 60.95 Favored Pre-proline 0 N--CA 1.492 1.674 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -89.67 -47.67 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.195 0 C-N-CA 121.762 1.642 . . . . 0.0 114.337 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -121.58 -44.45 2.34 Favored 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.2 p90 -59.91 -48.84 80.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.343 -1.473 . . . . 0.0 112.25 -175.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.623 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.3 t30 -70.91 -43.76 67.61 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.194 -1.566 . . . . 0.0 110.558 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -60.01 -49.99 75.51 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.037 -1.039 . . . . 0.0 110.705 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.91 -45.57 94.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.879 -1.138 . . . . 0.0 109.519 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.476 ' HG1' ' N ' ' A' ' 86' ' ' TRP . 76.5 p -68.21 -40.0 82.26 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.301 -0.874 . . . . 0.0 109.892 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.476 ' N ' ' HG1' ' A' ' 85' ' ' THR . 34.4 t-105 -68.38 -40.07 81.54 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.966 -1.084 . . . . 0.0 109.715 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -59.98 -41.73 92.65 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.935 -1.103 . . . . 0.0 108.957 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -62.77 -42.25 99.6 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.038 -1.039 . . . . 0.0 108.397 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.45 ' CZ3' ' CZ2' ' A' ' 86' ' ' TRP . 60.7 t90 -59.93 -49.97 75.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.464 -0.772 . . . . 0.0 109.822 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -66.46 -40.59 89.46 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.334 -0.854 . . . . 0.0 109.572 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.64 -40.0 88.5 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.266 -0.896 . . . . 0.0 109.911 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -60.13 -43.85 95.38 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.971 -1.081 . . . . 0.0 108.963 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.11 -40.71 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.153 -0.967 . . . . 0.0 109.274 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -60.08 -40.14 88.52 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.356 -0.84 . . . . 0.0 110.723 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -69.36 -39.94 77.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.883 -1.135 . . . . 0.0 109.418 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.91 -40.22 91.29 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.155 -0.966 . . . . 0.0 108.506 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.482 ' CD ' HH12 ' A' ' 29' ' ' ARG . 87.6 tt0 -60.04 -47.34 86.25 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.435 -0.791 . . . . 0.0 109.186 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.99 -40.0 96.45 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.269 -0.894 . . . . 0.0 109.707 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -65.98 -39.96 90.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.007 -1.058 . . . . 0.0 109.538 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.66 -40.41 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.185 -0.947 . . . . 0.0 109.18 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -61.99 -40.01 94.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.172 -0.955 . . . . 0.0 109.652 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.49 77.43 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.224 -0.923 . . . . 0.0 109.829 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.54 -41.15 98.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.911 -1.118 . . . . 0.0 109.252 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.54 -46.91 88.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.093 -1.004 . . . . 0.0 108.672 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.07 -47.76 84.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.241 -0.912 . . . . 0.0 109.108 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.33 -40.91 92.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.288 -0.883 . . . . 0.0 109.494 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.46 99.56 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.343 -0.848 . . . . 0.0 109.711 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.94 -46.09 92.07 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.155 -0.965 . . . . 0.0 109.546 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.97 -48.22 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.259 -0.901 . . . . 0.0 109.19 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -68.02 -40.0 83.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.379 -0.826 . . . . 0.0 109.827 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -59.97 -49.93 75.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.123 -0.986 . . . . 0.0 109.675 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.21 -44.01 97.55 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.183 -0.948 . . . . 0.0 109.139 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.43 -43.25 99.28 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.351 -0.843 . . . . 0.0 109.809 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -63.59 -43.44 96.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.1 -1.0 . . . . 0.0 109.517 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.53 -40.03 80.9 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.129 -0.982 . . . . 0.0 108.657 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -60.01 -48.58 81.13 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.492 -0.755 . . . . 0.0 109.312 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.85 -39.9 95.81 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.127 -0.983 . . . . 0.0 109.496 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.0 -40.19 92.58 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.254 -0.904 . . . . 0.0 109.582 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.0 mt-30 -60.55 -41.84 95.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.071 -1.018 . . . . 0.0 110.055 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -60.46 -39.47 87.68 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.078 -1.014 . . . . 0.0 109.491 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.9 mt -59.36 -47.66 84.59 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -124.1 60.12 1.14 Allowed 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 117.963 -1.017 . . . . 0.0 108.943 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.197 0.522 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.556 ' NE2' HE22 ' C' ' 2' ' ' GLN . 97.0 mm-40 -69.91 145.12 52.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.268 -0.895 . . . . 0.0 109.127 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -88.11 61.54 6.34 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.084 -1.01 . . . . 0.0 109.167 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.457 ' HG2' HH11 ' B' ' 4' ' ' ARG . 30.1 mtt-85 -65.11 -39.78 93.59 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 9.7 t -59.99 -44.44 94.51 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.39 -0.819 . . . . 0.0 109.538 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.408 ' N ' ' CG2' ' B' ' 5' ' ' THR . 59.8 tp -60.02 -45.45 92.75 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.009 -1.057 . . . . 0.0 108.611 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.7 mt -59.93 -39.81 86.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.546 -0.721 . . . . 0.0 109.63 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.03 87.73 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.118 -0.989 . . . . 0.0 108.597 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.37 -46.34 64.17 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.9 -46.67 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -1.096 . . . . 0.0 109.611 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 63.5 t -60.0 -46.74 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.072 -1.017 . . . . 0.0 109.292 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.45 -40.06 89.78 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.271 -0.893 . . . . 0.0 109.87 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.05 -40.64 90.11 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.041 -1.037 . . . . 0.0 109.105 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -62.31 -41.35 98.46 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.899 -1.126 . . . . 0.0 109.274 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.61 -42.32 98.71 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.167 -0.958 . . . . 0.0 108.603 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -63.4 -40.6 97.65 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.391 -0.818 . . . . 0.0 109.454 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.58 -40.02 92.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.019 -1.051 . . . . 0.0 109.225 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.48 -43.24 99.22 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.266 -0.896 . . . . 0.0 109.155 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -60.07 -48.93 79.65 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.316 -0.865 . . . . 0.0 109.772 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.95 -40.14 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.078 -1.014 . . . . 0.0 109.767 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.97 -43.11 91.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 121.21 -0.931 . . . . 0.0 108.854 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -63.42 -40.28 96.75 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -60.46 -39.97 89.51 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.392 -0.818 . . . . 0.0 109.558 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.1 -39.97 88.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.065 -1.022 . . . . 0.0 109.239 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -60.07 -45.71 91.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.048 -1.032 . . . . 0.0 109.386 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.03 -41.21 99.47 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.126 -0.984 . . . . 0.0 109.917 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 tp -61.45 -40.54 94.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.024 -1.047 . . . . 0.0 109.617 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.96 -40.1 87.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.164 -0.96 . . . . 0.0 109.474 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.484 HH12 ' CD ' ' B' ' 97' ' ' GLU . 35.2 mtt-85 -59.95 -40.04 87.63 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.154 -0.967 . . . . 0.0 109.04 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.479 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 15.2 mt -65.05 -40.11 94.3 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.009 -1.057 . . . . 0.0 109.848 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 78.7 p -65.06 -39.91 93.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.913 -1.117 . . . . 0.0 109.654 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.74 -39.89 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.958 . . . . 0.0 109.012 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -60.04 -43.61 95.24 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.351 -0.843 . . . . 0.0 110.301 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -49.46 78.29 Favored Glycine 0 N--CA 1.49 2.252 0 C-N-CA 119.78 -1.2 . . . . 0.0 110.339 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.93 -50.04 75.34 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.036 -1.273 . . . . 0.0 110.102 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -59.99 -40.02 87.76 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.206 -0.934 . . . . 0.0 109.982 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.591 HD22 HH21 ' B' ' 41' ' ' ARG . 39.8 t30 -60.23 -40.47 90.34 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.192 -0.943 . . . . 0.0 109.687 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.21 -40.07 88.82 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.061 -1.024 . . . . 0.0 109.712 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -59.92 -41.9 92.77 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.042 -1.037 . . . . 0.0 110.039 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' B' ' 43' ' ' THR . 43.1 p -60.48 -41.28 93.89 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.731 -1.231 . . . . 0.0 108.546 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.591 HH21 HD22 ' B' ' 37' ' ' ASN . 35.0 mtt-85 -64.16 -40.04 95.28 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.96 -42.71 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.54 -0.725 . . . . 0.0 109.186 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' B' ' 40' ' ' THR . 70.8 p -60.0 -40.02 87.79 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.99 -1.069 . . . . 0.0 110.079 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.9 92.86 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.08 -1.013 . . . . 0.0 108.889 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.51 -38.81 79.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.52 -0.737 . . . . 0.0 109.467 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.145 -0.972 . . . . 0.0 108.758 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -60.06 -44.1 94.94 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.531 -0.73 . . . . 0.0 109.574 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 67.6 m-85 -68.21 -38.36 81.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.219 -0.925 . . . . 0.0 109.811 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 64.2 mt -59.89 -40.11 87.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.092 -1.005 . . . . 0.0 108.818 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.05 -39.97 87.8 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.651 -1.281 . . . . 0.0 108.176 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -59.95 -39.08 84.32 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.244 -0.91 . . . . 0.0 108.727 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.623 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -59.85 -39.99 87.03 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.233 -0.917 . . . . 0.0 109.068 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.623 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -58.24 -35.53 71.86 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.899 -1.125 . . . . 0.0 108.901 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.93 -39.89 87.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.193 -0.942 . . . . 0.0 109.174 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 84.0 mt -73.76 113.08 10.5 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.944 -1.097 . . . . 0.0 109.087 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 26.4 m120 -133.53 -70.12 0.53 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.374 -0.829 . . . . 0.0 109.014 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.62 88.06 1.54 Allowed 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' TRP . . . . . 0.503 ' C ' ' H ' ' B' ' 60' ' ' ALA . 60.5 m95 -103.25 151.3 22.82 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.465 -0.772 . . . . 0.0 111.055 -178.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 51.14 9.94 0.41 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' B' ' 58' ' ' TRP . . . -75.39 23.48 0.11 Allowed 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.246 -1.15 . . . . 0.0 108.85 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -155.13 109.63 2.95 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.196 -0.94 . . . . 0.0 110.219 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -104.81 12.69 32.36 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.283 -0.886 . . . . 0.0 109.776 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.499 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -117.51 21.95 12.71 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 177.727 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . 0.499 ' NE2' ' C ' ' B' ' 63' ' ' ARG . 0.0 OUTLIER -151.13 152.5 33.46 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 179.331 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -107.1 60.12 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 120.997 -1.064 . . . . 0.0 109.137 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.85 158.03 43.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.239 -0.913 . . . . 0.0 109.424 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -125.14 132.85 53.01 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 5.1 t -97.58 119.97 37.12 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.307 -0.871 . . . . 0.0 110.736 -177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.39 121.91 45.03 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.42 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 61.3 t -129.36 87.91 52.12 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.257 -0.902 . . . . 0.0 109.192 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -84.8 67.27 6.33 Favored 'Trans proline' 0 N--CA 1.488 1.199 0 C-N-CA 122.841 2.36 . . . . 0.0 112.267 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.406 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 32.4 t90 -69.06 130.2 91.57 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.416 -0.802 . . . . 0.0 109.092 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.406 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 92.4 Cg_exo -39.21 148.3 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.32 1.347 . . . . 0.0 111.541 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.566 HD21 ' NE2' ' B' ' 52' ' ' GLN . 19.9 t-20 -127.27 -52.52 1.39 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.11 125.27 34.49 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 29.1 t -81.89 106.55 13.9 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 44.6 mt -80.69 135.91 36.09 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.694 0.759 . . . . 0.0 110.13 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 3.4 t -92.83 113.85 60.88 Favored Pre-proline 0 N--CA 1.494 1.736 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -89.64 -47.63 0.03 OUTLIER 'Trans proline' 0 N--CA 1.487 1.127 0 C-N-CA 121.788 1.659 . . . . 0.0 114.28 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -121.55 -44.56 2.34 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -176.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.618 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.3 p90 -59.99 -48.66 80.79 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.375 -1.453 . . . . 0.0 112.233 -175.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.618 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.2 t30 -71.13 -43.72 67.03 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.239 -1.538 . . . . 0.0 110.486 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -60.01 -50.08 75.13 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.041 -1.037 . . . . 0.0 110.637 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.58 -45.51 93.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.861 -1.149 . . . . 0.0 109.656 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.482 ' HG1' ' N ' ' B' ' 86' ' ' TRP . 75.0 p -68.49 -40.0 81.07 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.261 -0.899 . . . . 0.0 109.847 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . 0.482 ' N ' ' HG1' ' B' ' 85' ' ' THR . 34.2 t-105 -68.33 -40.06 81.75 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 118.994 -1.083 . . . . 0.0 109.734 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -59.96 -41.79 92.7 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.911 -1.118 . . . . 0.0 108.969 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.62 -42.05 99.36 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.077 -1.014 . . . . 0.0 108.582 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.456 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.7 t90 -60.09 -49.95 75.63 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.49 -0.756 . . . . 0.0 109.717 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -66.07 -41.21 91.04 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.161 -0.962 . . . . 0.0 109.543 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.1 -39.97 90.39 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.292 -0.88 . . . . 0.0 110.106 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -60.53 -43.65 96.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.115 -0.991 . . . . 0.0 108.862 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.2 -40.56 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.215 -0.928 . . . . 0.0 109.378 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -60.16 -40.0 88.36 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.382 -0.824 . . . . 0.0 110.805 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -69.48 -40.01 77.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.875 -1.14 . . . . 0.0 109.368 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.84 -40.27 91.58 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.078 -1.013 . . . . 0.0 108.541 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . 0.484 ' CD ' HH12 ' B' ' 29' ' ' ARG . 88.1 tt0 -59.98 -47.18 86.89 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.458 -0.776 . . . . 0.0 109.186 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.25 -40.01 96.22 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.279 -0.888 . . . . 0.0 109.696 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -65.75 -40.0 91.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.011 -1.056 . . . . 0.0 109.401 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.1 mt -65.69 -40.79 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.27 -0.894 . . . . 0.0 109.186 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 40.9 p -61.67 -40.02 93.46 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.035 -1.04 . . . . 0.0 109.753 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.96 -49.77 76.36 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.124 -0.985 . . . . 0.0 109.877 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.04 -41.59 98.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.968 -1.083 . . . . 0.0 109.3 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.17 -47.01 87.75 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.055 -1.028 . . . . 0.0 108.695 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.04 -47.95 83.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.206 -0.934 . . . . 0.0 109.038 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.09 -41.22 92.02 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 0.0 109.517 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.24 99.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 0.0 109.839 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.25 -45.83 92.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.19 -0.944 . . . . 0.0 109.54 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.99 -48.52 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.901 . . . . 0.0 109.172 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.78 -39.94 84.01 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.397 -0.814 . . . . 0.0 109.816 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.11 -50.01 75.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.132 -0.98 . . . . 0.0 109.647 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.12 -43.88 97.86 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.142 -0.974 . . . . 0.0 109.104 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.63 -42.7 99.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.369 -0.832 . . . . 0.0 109.879 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -64.28 -42.85 96.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.033 -1.042 . . . . 0.0 109.544 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -68.83 -40.06 79.66 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.209 -0.932 . . . . 0.0 108.572 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -59.99 -48.57 81.16 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.447 -0.783 . . . . 0.0 109.387 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.82 -40.04 96.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.099 -1.001 . . . . 0.0 109.384 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.7 -40.57 92.71 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.344 -0.848 . . . . 0.0 109.704 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.3 mt-30 -60.38 -42.02 94.97 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.106 -0.996 . . . . 0.0 110.002 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -60.14 -39.42 86.23 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.172 -0.955 . . . . 0.0 109.667 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.54 -47.89 83.79 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -124.02 60.03 1.13 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.769 0 O-C-N 121.025 -1.047 . . . . 0.0 108.919 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.213 0.53 . . . . 0.0 109.695 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . 0.556 HE22 ' NE2' ' B' ' 2' ' ' GLN . 96.3 mm-40 -70.03 145.22 51.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.194 -0.941 . . . . 0.0 109.071 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -88.32 61.58 6.26 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.134 -0.979 . . . . 0.0 109.194 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . 0.455 ' HG2' HH11 ' C' ' 4' ' ' ARG . 29.8 mtt-85 -65.12 -39.9 93.73 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.508 -0.745 . . . . 0.0 109.033 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 9.8 t -60.04 -44.46 94.64 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.46 -0.775 . . . . 0.0 109.561 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.406 ' N ' ' CG2' ' C' ' 5' ' ' THR . 60.1 tp -59.91 -45.34 92.88 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.032 -1.043 . . . . 0.0 108.649 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.9 -40.04 87.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.514 -0.742 . . . . 0.0 109.678 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.04 87.14 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.152 -0.968 . . . . 0.0 108.594 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.49 -46.12 64.44 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.04 -46.73 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.387 -1.066 . . . . 0.0 109.606 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.99 -46.8 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.072 -1.017 . . . . 0.0 109.192 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.59 -39.97 90.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.157 -0.964 . . . . 0.0 109.99 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.99 -40.64 89.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.034 -1.041 . . . . 0.0 109.108 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -62.42 -40.8 97.73 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.066 -1.021 . . . . 0.0 109.325 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -61.78 -42.75 99.39 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.081 -1.012 . . . . 0.0 108.675 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.75 -41.36 99.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.286 -0.884 . . . . 0.0 109.568 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.95 -40.04 94.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.126 -0.984 . . . . 0.0 109.276 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.67 -42.97 99.64 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.376 -0.828 . . . . 0.0 109.246 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.94 -49.1 79.01 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.291 -0.88 . . . . 0.0 109.88 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.05 -40.02 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.043 -1.036 . . . . 0.0 109.667 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.01 -43.2 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.152 -0.967 . . . . 0.0 108.926 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -63.33 -40.48 97.41 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 54.5 mtt-85 -60.36 -40.08 89.49 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.387 -0.821 . . . . 0.0 109.592 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.0 -40.08 87.99 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.174 -0.954 . . . . 0.0 109.231 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -59.94 -45.88 91.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.009 -1.057 . . . . 0.0 109.455 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.71 -41.42 99.13 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.197 -0.939 . . . . 0.0 109.872 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.5 tp -61.27 -40.65 94.9 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.205 -0.935 . . . . 0.0 109.668 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.07 -39.89 87.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.306 -0.871 . . . . 0.0 109.543 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . 0.489 HH12 ' CD ' ' C' ' 97' ' ' GLU . 34.4 mtt-85 -60.05 -40.01 87.95 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.223 -0.923 . . . . 0.0 108.986 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.44 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 15.3 mt -65.22 -39.99 93.5 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.045 -1.034 . . . . 0.0 109.767 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -64.94 -40.04 94.43 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.958 -1.089 . . . . 0.0 109.691 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.73 -40.01 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.232 -0.918 . . . . 0.0 109.084 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -59.96 -43.43 95.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.472 -0.767 . . . . 0.0 110.3 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.33 -49.47 78.21 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 119.84 -1.171 . . . . 0.0 110.301 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -59.96 -50.07 75.18 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.065 -1.256 . . . . 0.0 109.952 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -59.92 -39.98 87.31 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.198 -0.939 . . . . 0.0 110.07 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.612 HD22 HH21 ' C' ' 41' ' ' ARG . 39.8 t30 -60.1 -40.72 90.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.151 -0.968 . . . . 0.0 109.686 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.12 -40.06 88.42 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.154 -0.966 . . . . 0.0 109.702 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -60.01 -41.57 92.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.074 -1.016 . . . . 0.0 109.921 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' C' ' 43' ' ' THR . 43.1 p -60.73 -41.3 95.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.736 -1.228 . . . . 0.0 108.503 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.612 HH21 HD22 ' C' ' 37' ' ' ASN . 35.0 mtt-85 -64.2 -39.98 95.11 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.05 -42.51 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.473 -0.767 . . . . 0.0 109.227 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' C' ' 40' ' ' THR . 69.2 p -60.03 -40.04 87.96 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.102 -0.999 . . . . 0.0 110.093 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.77 92.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.112 -0.993 . . . . 0.0 108.916 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 91.3 mt -60.65 -38.66 79.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.486 -0.759 . . . . 0.0 109.428 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.88 -40.12 87.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.192 -0.942 . . . . 0.0 108.896 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -60.06 -43.85 95.13 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.451 -0.78 . . . . 0.0 109.645 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.555 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 68.4 m-85 -68.67 -38.17 80.19 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.166 -0.959 . . . . 0.0 109.791 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 61.4 mt -59.89 -40.05 87.41 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.006 -1.059 . . . . 0.0 108.846 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -59.94 -40.04 87.61 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.738 -1.226 . . . . 0.0 108.226 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.0 -39.13 84.69 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.138 -0.976 . . . . 0.0 108.665 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.627 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.83 -40.03 87.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.182 -0.949 . . . . 0.0 109.081 179.836 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . 0.627 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -58.17 -35.52 71.69 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.945 -1.097 . . . . 0.0 108.955 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -59.91 -40.02 87.38 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.161 -0.962 . . . . 0.0 109.109 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 83.8 mt -73.73 113.14 10.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.97 -1.081 . . . . 0.0 109.086 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 27.0 m120 -133.55 -69.98 0.54 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.323 -0.86 . . . . 0.0 109.132 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.26 88.25 1.5 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 58' ' ' TRP . . . . . 0.491 ' C ' ' H ' ' C' ' 60' ' ' ALA . 60.8 m95 -103.36 151.27 22.94 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.426 -0.796 . . . . 0.0 110.952 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . 0.518 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 51.56 9.43 0.45 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 178.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . 0.491 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -75.11 24.17 0.1 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.331 -1.099 . . . . 0.0 108.956 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 61' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.06 109.64 2.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.256 -0.903 . . . . 0.0 110.248 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -104.86 12.64 32.33 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.285 -0.885 . . . . 0.0 109.757 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . 0.499 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -117.49 22.06 12.64 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 177.716 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . 0.499 ' NE2' ' C ' ' C' ' 63' ' ' ARG . 0.0 OUTLIER -151.25 152.53 33.37 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 179.464 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 t -107.18 60.25 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.112 -0.993 . . . . 0.0 109.176 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.97 157.8 43.35 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.356 -0.84 . . . . 0.0 109.375 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -124.97 132.9 53.2 Favored 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 5.1 t -97.59 120.23 37.59 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.339 -0.851 . . . . 0.0 110.756 -178.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.46 121.82 44.7 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.432 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 60.0 t -129.21 87.62 53.39 Favored Pre-proline 0 N--CA 1.499 2.01 0 O-C-N 121.371 -0.831 . . . . 0.0 109.127 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.63 67.38 6.45 Favored 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 122.739 2.293 . . . . 0.0 112.329 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.414 ' O ' ' C ' ' C' ' 73' ' ' PRO . 31.8 t90 -69.02 130.31 91.54 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.502 -0.749 . . . . 0.0 109.132 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' C' ' 72' ' ' TRP . 91.1 Cg_exo -39.35 148.28 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.173 0 C-N-CA 121.374 1.382 . . . . 0.0 111.399 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.552 HD21 ' NE2' ' C' ' 52' ' ' GLN . 19.9 t-20 -127.31 -52.44 1.39 Allowed 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.09 125.22 34.47 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 30.6 t -81.81 106.5 13.79 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 45.7 mt -80.66 135.87 36.1 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.6 0.714 . . . . 0.0 110.226 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 3.5 t -92.9 113.64 60.34 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -89.48 -47.67 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.169 0 C-N-CA 121.836 1.691 . . . . 0.0 114.251 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -121.65 -44.3 2.34 Favored 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.62 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.3 p90 -60.07 -48.9 79.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.302 -1.499 . . . . 0.0 112.156 -175.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.62 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.3 t30 -70.87 -43.82 67.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.194 -1.566 . . . . 0.0 110.578 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -60.07 -49.94 75.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.025 -1.047 . . . . 0.0 110.688 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.6 -45.6 93.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.786 -1.196 . . . . 0.0 109.58 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 85' ' ' THR . . . . . 0.47 ' HG1' ' N ' ' C' ' 86' ' ' TRP . 79.9 p -68.56 -39.91 80.86 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.284 -0.885 . . . . 0.0 109.801 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . 0.47 ' N ' ' HG1' ' C' ' 85' ' ' THR . 34.3 t-105 -68.36 -40.05 81.62 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.965 -1.084 . . . . 0.0 109.696 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -59.92 -41.9 92.74 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.891 -1.131 . . . . 0.0 109.012 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.53 -42.33 99.45 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.391 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.479 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.0 t90 -60.11 -49.97 75.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.501 -0.749 . . . . 0.0 109.825 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -65.93 -40.93 91.82 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.221 -0.924 . . . . 0.0 109.481 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.42 -40.13 89.35 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.238 -0.913 . . . . 0.0 110.03 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -60.14 -43.8 95.44 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.045 -1.034 . . . . 0.0 109.001 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.07 -40.55 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.22 -0.925 . . . . 0.0 109.395 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -60.0 -40.42 89.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.414 -0.804 . . . . 0.0 110.803 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -69.31 -39.88 78.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.933 -1.104 . . . . 0.0 109.417 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 83.5 mt -65.95 -40.26 91.19 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.135 -0.978 . . . . 0.0 108.468 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . 0.489 ' CD ' HH12 ' C' ' 29' ' ' ARG . 87.7 tt0 -59.95 -47.76 84.5 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.431 -0.793 . . . . 0.0 109.103 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.6 -40.0 95.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.313 -0.867 . . . . 0.0 109.782 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -65.85 -40.16 91.45 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.089 -1.007 . . . . 0.0 109.429 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.63 -40.36 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.156 -0.965 . . . . 0.0 109.184 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.9 p -62.09 -39.99 94.34 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.131 -0.981 . . . . 0.0 109.698 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.76 76.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.118 -0.989 . . . . 0.0 109.883 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.11 -41.56 98.34 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.949 -1.094 . . . . 0.0 109.184 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.11 -47.0 87.71 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.152 -0.967 . . . . 0.0 108.799 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.08 -47.59 85.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.304 -0.872 . . . . 0.0 109.167 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.53 -40.92 93.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.377 -0.827 . . . . 0.0 109.433 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.0 99.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.272 -0.892 . . . . 0.0 109.758 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.28 -45.78 93.07 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.133 -0.98 . . . . 0.0 109.629 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.91 -48.49 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.227 -0.921 . . . . 0.0 109.149 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.96 -40.01 83.28 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.41 -0.806 . . . . 0.0 109.725 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -59.99 -50.02 75.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.054 -1.029 . . . . 0.0 109.683 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.94 -44.46 96.72 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.242 -0.911 . . . . 0.0 109.098 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.09 -43.2 99.35 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.268 -0.895 . . . . 0.0 109.779 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -63.71 -43.32 96.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.015 -1.053 . . . . 0.0 109.581 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.45 -40.03 81.24 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.221 -0.924 . . . . 0.0 108.573 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -59.98 -48.68 80.7 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.432 -0.792 . . . . 0.0 109.363 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.95 -39.97 96.25 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.164 -0.96 . . . . 0.0 109.349 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.78 -40.49 92.79 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.236 -0.915 . . . . 0.0 109.558 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.2 mt-30 -60.07 -42.65 95.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.072 -1.018 . . . . 0.0 109.966 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -59.93 -38.79 83.4 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.15 -0.969 . . . . 0.0 109.821 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.89 -47.64 84.95 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -124.11 59.75 1.15 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.517 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 117.99 -1.005 . . . . 0.0 108.968 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -77.73 146.06 36.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.229 -0.919 . . . . 0.0 109.389 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.403 ' O ' ' OG ' ' A' ' 3' ' ' SER . 30.9 p -88.67 61.97 6.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.256 -0.902 . . . . 0.0 109.074 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -63.93 -39.98 95.4 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.372 -0.83 . . . . 0.0 109.336 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -41.73 96.35 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.199 -0.938 . . . . 0.0 108.997 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.6 tp -61.8 -42.42 98.98 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.106 -0.996 . . . . 0.0 108.765 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.4 mt -60.06 -39.93 87.72 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.518 -0.739 . . . . 0.0 110.073 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.0 87.91 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.032 -1.042 . . . . 0.0 108.701 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.71 -46.43 54.01 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.5 mt -59.91 -46.18 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.408 -1.054 . . . . 0.0 109.79 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.3 t -60.03 -44.48 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.061 -1.024 . . . . 0.0 108.774 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.91 -40.05 94.11 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.258 -0.901 . . . . 0.0 109.744 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -59.96 -42.16 93.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.107 -0.996 . . . . 0.0 109.305 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -60.13 -42.21 94.31 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.043 -1.036 . . . . 0.0 108.731 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.58 -43.57 98.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.311 -0.868 . . . . 0.0 109.031 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -60.13 -44.58 94.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 109.147 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.42 -42.11 98.22 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.35 -0.844 . . . . 0.0 109.484 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.27 -42.38 95.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.359 -0.838 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.97 -47.85 84.12 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.225 -0.922 . . . . 0.0 110.111 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.3 -40.77 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.04 -1.037 . . . . 0.0 109.56 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.04 -41.66 87.09 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.41 -0.806 . . . . 0.0 109.005 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -62.26 -41.15 98.2 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.505 -0.747 . . . . 0.0 109.209 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.404 HH11 ' HG2' ' A' ' 23' ' ' ARG . 52.8 mtt-85 -61.66 -40.08 93.65 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.427 -0.796 . . . . 0.0 109.856 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.94 -40.07 87.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.99 -1.069 . . . . 0.0 109.538 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -59.98 -49.95 75.67 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.178 -0.951 . . . . 0.0 108.996 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.91 -42.24 97.68 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.128 -0.982 . . . . 0.0 109.37 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.63 -40.99 93.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.344 -0.847 . . . . 0.0 109.013 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.401 ' O ' ' OG1' ' A' ' 31' ' ' THR . 17.3 mt -60.54 -40.05 90.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.348 -0.845 . . . . 0.0 109.474 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -59.99 -40.46 89.28 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.181 -0.95 . . . . 0.0 109.388 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.445 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 95.9 mt -61.57 -41.9 98.07 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.073 -1.017 . . . . 0.0 109.514 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 81.7 p -63.37 -40.6 97.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.121 -0.987 . . . . 0.0 109.828 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.29 -40.1 84.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.357 -0.84 . . . . 0.0 109.249 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -59.97 -43.72 94.93 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.289 -0.882 . . . . 0.0 110.451 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.07 -50.0 72.45 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.884 -1.287 . . . . 0.0 109.884 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.7 m -59.97 -49.94 75.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.101 -1.235 . . . . 0.0 109.93 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -61.68 -39.96 93.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.135 -0.978 . . . . 0.0 109.708 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.648 ' ND2' HH21 ' A' ' 41' ' ' ARG . 51.0 t-20 -60.12 -40.31 89.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.318 -0.864 . . . . 0.0 109.634 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.9 mt -60.66 -40.04 90.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.167 -0.958 . . . . 0.0 109.492 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -59.94 -40.62 89.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.1 -1.0 . . . . 0.0 109.641 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.429 ' O ' ' OG1' ' A' ' 43' ' ' THR . 80.8 p -60.07 -40.29 89.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.887 -1.133 . . . . 0.0 108.482 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.688 HH22 HD22 ' B' ' 82' ' ' ASN . 71.9 mtt180 -66.53 -39.97 88.88 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.1 -40.09 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.449 -0.782 . . . . 0.0 109.162 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.48 ' HG1' ' N ' ' A' ' 44' ' ' ALA . 72.2 p -60.02 -39.98 87.73 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.842 -1.161 . . . . 0.0 108.635 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.48 ' N ' ' HG1' ' A' ' 43' ' ' THR . . . -59.93 -43.5 94.92 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.208 -0.932 . . . . 0.0 108.9 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.1 mt -59.97 -39.71 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.447 -0.783 . . . . 0.0 109.127 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.01 -40.13 88.19 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.2 -0.937 . . . . 0.0 110.04 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -62.4 -42.15 99.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.901 -1.124 . . . . 0.0 109.033 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 54.8 m-85 -65.5 -39.57 92.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.361 -0.837 . . . . 0.0 109.777 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.8 mt -59.96 -39.58 86.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.1 -1.0 . . . . 0.0 108.816 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.03 -40.0 87.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 41.2 t0 -59.96 -40.13 88.0 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.356 -0.84 . . . . 0.0 109.096 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.527 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.805 -1.184 . . . . 0.0 109.162 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.3 -35.78 74.41 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.011 -1.056 . . . . 0.0 108.712 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -59.99 -40.02 87.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.374 -0.829 . . . . 0.0 108.875 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.2 mt -71.49 113.85 8.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.07 -1.018 . . . . 0.0 109.082 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -134.29 -71.22 0.5 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.595 -0.691 . . . . 0.0 109.401 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.69 88.06 1.67 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -105.93 141.86 36.62 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.502 -0.749 . . . . 0.0 110.824 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.538 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 66.82 6.61 37.83 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.994 -1.642 . . . . 0.0 108.994 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.27 22.78 0.05 Allowed 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.557 -0.966 . . . . 0.0 109.568 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.538 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.74 109.73 2.34 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.171 -0.956 . . . . 0.0 109.674 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -102.22 12.29 36.94 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.196 -0.94 . . . . 0.0 110.205 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.509 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 6.1 mmt-85 -122.19 23.66 9.76 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.519 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER -148.93 151.83 35.32 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.596 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.2 t -106.69 60.78 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.162 -0.961 . . . . 0.0 109.148 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.94 157.99 43.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.193 -0.942 . . . . 0.0 110.001 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -129.41 134.31 47.79 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.9 t -96.36 122.18 38.96 Favored 'General case' 0 N--CA 1.501 2.102 0 CA-C-O 121.917 0.865 . . . . 0.0 110.931 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.51 120.85 43.05 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -130.61 81.19 68.35 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.313 -0.867 . . . . 0.0 109.032 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.7 68.34 7.63 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.842 2.361 . . . . 0.0 112.312 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.492 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 45.1 t90 -68.31 135.06 91.1 Favored Pre-proline 0 N--CA 1.49 1.566 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.492 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 91.9 Cg_exo -39.42 149.05 0.11 Allowed 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.368 1.379 . . . . 0.0 111.022 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.538 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 2.0 t30 -127.04 -59.32 1.26 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.345 -0.847 . . . . 0.0 109.034 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.38 126.46 36.47 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.4 t -80.67 109.01 14.8 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.026 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 mt -79.54 137.44 37.18 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.2 t -86.51 115.17 61.22 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.424 -0.797 . . . . 0.0 109.69 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -93.94 -45.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.031 0 C-N-CA 121.868 1.712 . . . . 0.0 113.458 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -121.41 -45.07 2.34 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.694 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 5.4 p90 -59.94 -50.11 75.03 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.395 -1.44 . . . . 0.0 113.424 -175.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.694 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 63.1 t30 -70.15 -39.73 75.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.143 -1.598 . . . . 0.0 111.015 -177.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -59.98 -49.84 76.08 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.901 -1.124 . . . . 0.0 110.387 -178.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -65.04 -41.91 94.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.525 -1.359 . . . . 0.0 109.852 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.6 p -71.72 -40.05 69.72 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.185 -0.947 . . . . 0.0 109.906 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -69.94 -39.97 75.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.012 -1.055 . . . . 0.0 109.26 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.01 -41.01 91.24 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.565 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.3 -41.44 96.99 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.112 -0.993 . . . . 0.0 108.532 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.456 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 59.1 t90 -59.98 -50.02 75.37 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.499 -0.75 . . . . 0.0 109.368 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.66 -40.47 96.92 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.369 -0.832 . . . . 0.0 109.396 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -60.19 -44.45 95.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.389 -0.819 . . . . 0.0 110.456 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -59.99 -41.84 92.95 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.816 -1.178 . . . . 0.0 109.58 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.94 -42.14 88.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.171 -0.956 . . . . 0.0 108.91 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -59.97 -45.52 92.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.416 -0.803 . . . . 0.0 110.225 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -64.61 -40.03 94.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.041 -1.037 . . . . 0.0 109.938 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.92 -40.56 83.37 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.896 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.13 -48.72 80.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.14 -0.975 . . . . 0.0 109.194 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.84 -41.87 96.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.878 . . . . 0.0 109.502 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -65.93 -40.29 91.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.342 -0.849 . . . . 0.0 109.419 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.6 mt -68.6 -40.77 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.34 -0.85 . . . . 0.0 109.263 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.4 p -61.72 -41.85 98.17 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.206 -0.934 . . . . 0.0 109.199 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.93 75.75 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.301 -0.874 . . . . 0.0 109.206 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.66 -42.92 97.99 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.233 -0.917 . . . . 0.0 109.33 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.8 mt -60.07 -48.5 81.44 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.141 -0.975 . . . . 0.0 109.071 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.94 -48.55 81.23 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.158 -0.964 . . . . 0.0 109.278 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.69 -42.53 97.35 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.305 -0.872 . . . . 0.0 109.169 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.3 93.84 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.314 -0.867 . . . . 0.0 109.513 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.98 -46.19 90.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.135 -0.978 . . . . 0.0 109.471 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.04 -49.83 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 109.4 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -65.47 -40.07 92.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.327 -0.858 . . . . 0.0 109.793 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -59.97 -47.26 86.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.401 -0.812 . . . . 0.0 109.49 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.37 -41.57 98.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.185 -0.947 . . . . 0.0 109.473 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -61.58 -41.34 97.26 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.275 -0.891 . . . . 0.0 109.329 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -60.03 -48.46 81.63 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.143 -0.973 . . . . 0.0 109.083 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.49 -40.16 95.15 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.237 -0.914 . . . . 0.0 108.903 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -59.96 -47.76 84.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.412 -0.805 . . . . 0.0 108.938 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.02 -39.94 93.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.17 -0.957 . . . . 0.0 109.091 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 63.5 tp -60.05 -42.91 95.47 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.508 -0.745 . . . . 0.0 109.472 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.546 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.8 mt-30 -61.02 -40.56 94.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.252 -0.905 . . . . 0.0 110.17 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.07 -39.77 87.19 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.071 -1.018 . . . . 0.0 109.016 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.24 -47.66 84.52 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -123.79 61.14 1.09 Allowed 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.185 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.352 0.596 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -77.99 146.06 35.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.287 -0.883 . . . . 0.0 109.379 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' B' ' 3' ' ' SER . 28.7 p -88.49 61.75 6.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.336 -0.853 . . . . 0.0 109.077 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -63.8 -40.07 95.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.553 -0.717 . . . . 0.0 109.289 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -41.45 95.78 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.135 -0.978 . . . . 0.0 108.981 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.2 tp -62.31 -42.24 99.2 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.06 -1.025 . . . . 0.0 108.755 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 32.6 mt -60.07 -40.07 88.26 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.52 -0.737 . . . . 0.0 109.929 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.97 87.52 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.1 -1.0 . . . . 0.0 108.778 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.67 -46.36 54.58 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.121 -1.591 . . . . 0.0 109.121 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.406 HD11 HG22 ' B' ' 10' ' ' ILE . 91.4 mt -59.97 -46.26 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.304 -1.115 . . . . 0.0 109.727 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.03 -44.5 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.015 -1.053 . . . . 0.0 108.728 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.93 -40.0 94.0 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -0.899 . . . . 0.0 109.728 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.02 -41.95 93.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.167 -0.958 . . . . 0.0 109.312 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -60.38 -42.3 95.56 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.046 -1.033 . . . . 0.0 108.762 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.58 -43.45 98.83 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.343 -0.848 . . . . 0.0 109.013 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -60.1 -44.4 94.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.306 -0.871 . . . . 0.0 109.215 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.73 -41.94 98.3 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.297 -0.877 . . . . 0.0 109.457 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.22 -42.58 95.48 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.403 -0.811 . . . . 0.0 109.349 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -60.04 -47.55 85.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.886 . . . . 0.0 110.057 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.37 -41.02 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.13 -0.981 . . . . 0.0 109.518 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.99 -41.62 86.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.27 -0.894 . . . . 0.0 109.041 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -62.21 -41.09 98.06 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.435 -0.791 . . . . 0.0 109.125 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 53.7 mtt-85 -61.72 -40.03 93.61 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.354 -0.841 . . . . 0.0 109.951 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.99 -40.06 87.85 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.92 -1.113 . . . . 0.0 109.544 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -59.97 -49.7 76.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.124 -0.985 . . . . 0.0 109.057 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.37 -41.89 97.83 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.264 -0.898 . . . . 0.0 109.385 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.95 -40.98 95.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.891 . . . . 0.0 108.956 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.41 -39.93 89.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.436 -0.79 . . . . 0.0 109.428 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.02 -40.42 89.25 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.133 -0.979 . . . . 0.0 109.354 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.482 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 96.9 mt -61.69 -41.39 97.53 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.043 -1.036 . . . . 0.0 109.576 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.5 p -63.93 -40.36 96.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.0 109.759 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.1 t -61.45 -40.15 85.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.238 -0.913 . . . . 0.0 109.23 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -60.08 -43.5 95.44 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.337 -0.852 . . . . 0.0 110.398 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.41 -49.83 74.31 Favored Glycine 0 N--CA 1.488 2.148 0 C-N-CA 119.491 -1.338 . . . . 0.0 109.792 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.4 m -59.9 -50.08 75.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.129 -1.218 . . . . 0.0 110.005 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -61.43 -40.05 93.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.111 -0.993 . . . . 0.0 109.717 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.651 ' ND2' HH21 ' B' ' 41' ' ' ARG . 51.8 t-20 -60.0 -40.86 90.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.415 -0.803 . . . . 0.0 109.487 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.25 -40.02 88.8 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.212 -0.93 . . . . 0.0 109.507 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -59.98 -40.51 89.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.068 -1.02 . . . . 0.0 109.703 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' B' ' 43' ' ' THR . 81.2 p -60.02 -40.52 89.62 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.939 -1.101 . . . . 0.0 108.399 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.684 HH22 HD22 ' C' ' 82' ' ' ASN . 71.5 mtt180 -66.46 -40.0 89.15 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.04 -40.09 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.501 -0.749 . . . . 0.0 109.162 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.462 ' HG1' ' N ' ' B' ' 44' ' ' ALA . 73.9 p -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.97 -1.081 . . . . 0.0 108.407 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.462 ' N ' ' HG1' ' B' ' 43' ' ' THR . . . -60.04 -43.5 95.32 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.204 -0.935 . . . . 0.0 108.792 179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 86.7 mt -60.05 -39.76 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.4 -0.813 . . . . 0.0 109.177 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.04 -39.97 87.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.9 . . . . 0.0 110.072 -178.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -62.51 -42.08 99.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.876 -1.14 . . . . 0.0 109.076 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 55.1 m-85 -65.58 -39.75 91.96 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.274 -0.891 . . . . 0.0 109.704 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 57.8 mt -59.95 -39.56 86.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.053 -1.03 . . . . 0.0 108.763 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.95 -39.98 87.41 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.041 -1.037 . . . . 0.0 108.251 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -60.05 -40.01 87.94 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.332 -0.855 . . . . 0.0 109.123 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.525 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.8 OUTLIER -59.96 -40.05 87.71 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.778 -1.201 . . . . 0.0 109.202 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.68 74.08 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.962 -1.086 . . . . 0.0 108.63 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.217 -0.927 . . . . 0.0 108.88 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 63.8 mt -71.6 114.01 9.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.123 -0.985 . . . . 0.0 109.058 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -134.49 -70.79 0.5 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.578 -0.701 . . . . 0.0 109.35 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.93 88.09 1.65 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -105.97 141.78 36.79 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.531 -0.73 . . . . 0.0 110.777 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.538 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 66.69 6.86 38.25 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.69 22.66 0.06 Allowed 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.613 -0.934 . . . . 0.0 109.387 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.538 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.31 109.93 2.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.005 -1.059 . . . . 0.0 109.687 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -102.41 12.14 36.98 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.123 -0.985 . . . . 0.0 110.193 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.507 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 6.2 mmt-85 -122.17 23.76 9.73 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 177.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . 0.507 ' NE2' ' C ' ' B' ' 63' ' ' ARG . 0.0 OUTLIER -149.13 151.88 35.15 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.61 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.1 t -106.78 60.79 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.168 -0.957 . . . . 0.0 109.036 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.79 158.08 43.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.241 -0.912 . . . . 0.0 109.927 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -129.6 134.32 47.65 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 2.8 t -96.47 122.16 39.08 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.24 -0.912 . . . . 0.0 110.979 -178.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.56 120.51 41.83 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.6 t -130.33 81.29 68.63 Favored Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 121.249 -0.907 . . . . 0.0 109.044 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -82.79 68.43 7.57 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.827 2.351 . . . . 0.0 112.373 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.496 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 45.5 t90 -68.24 135.27 91.29 Favored Pre-proline 0 N--CA 1.491 1.611 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.496 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 94.1 Cg_exo -39.68 149.05 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.358 1.372 . . . . 0.0 111.087 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.549 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 2.2 t30 -127.02 -59.56 1.25 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.381 -0.825 . . . . 0.0 109.077 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.13 126.31 36.17 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 30.5 t -80.36 108.75 14.23 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.697 -1.201 . . . . 0.0 108.145 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.1 mt -79.18 137.4 37.43 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 5.2 t -86.74 115.09 61.15 Favored Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.38 -0.825 . . . . 0.0 109.736 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -93.94 -46.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.047 0 C-N-CA 121.821 1.681 . . . . 0.0 113.464 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -121.29 -44.98 2.35 Favored 'General case' 0 N--CA 1.505 2.321 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.692 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 5.5 p90 -59.97 -50.14 74.92 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.329 -1.482 . . . . 0.0 113.402 -175.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.692 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 62.6 t30 -70.26 -39.67 74.84 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.162 -1.586 . . . . 0.0 111.094 -178.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -60.04 -49.7 76.62 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.928 -1.108 . . . . 0.0 110.4 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.26 -41.78 93.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.418 -1.427 . . . . 0.0 109.819 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 71.3 p -71.78 -40.02 69.53 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.194 -0.941 . . . . 0.0 109.913 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -69.97 -40.03 75.62 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.964 -1.085 . . . . 0.0 109.236 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.0 -41.08 91.3 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.909 -1.12 . . . . 0.0 108.508 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.16 -41.61 97.08 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.2 -0.938 . . . . 0.0 108.646 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.445 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.3 t90 -59.98 -50.05 75.29 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.444 -0.785 . . . . 0.0 109.302 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.53 -40.58 97.4 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.349 -0.845 . . . . 0.0 109.288 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -60.09 -44.64 94.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.359 -0.838 . . . . 0.0 110.491 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -60.02 -41.7 92.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.795 -1.19 . . . . 0.0 109.595 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 57.2 t -60.05 -42.04 88.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.11 -0.994 . . . . 0.0 108.925 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -59.96 -45.72 91.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.386 -0.821 . . . . 0.0 110.299 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -64.48 -40.02 94.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.961 -1.087 . . . . 0.0 109.931 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.85 -40.63 83.66 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 118.939 -1.104 . . . . 0.0 108.947 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.97 -48.49 81.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.144 -0.973 . . . . 0.0 109.189 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.18 -41.61 97.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.408 -0.807 . . . . 0.0 109.52 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -66.03 -40.0 90.66 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.283 -0.886 . . . . 0.0 109.523 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 84.9 mt -69.09 -40.04 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.451 -0.781 . . . . 0.0 109.191 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 34.4 p -62.37 -41.66 98.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.149 -0.969 . . . . 0.0 109.052 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.82 76.17 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.186 -0.946 . . . . 0.0 109.323 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.94 -42.91 99.12 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.256 -0.903 . . . . 0.0 109.27 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.95 -48.51 81.41 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.136 -0.978 . . . . 0.0 109.141 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.01 -48.57 81.18 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.075 -1.016 . . . . 0.0 109.303 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.76 -42.38 97.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.323 -0.861 . . . . 0.0 109.257 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.08 94.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.35 -0.844 . . . . 0.0 109.48 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.99 -46.29 89.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.159 -0.963 . . . . 0.0 109.479 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.403 HG22 HD11 ' B' ' 109' ' ' ILE . 96.7 mt -60.07 -49.88 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.238 -0.914 . . . . 0.0 109.455 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -65.22 -40.09 93.66 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.316 -0.865 . . . . 0.0 109.738 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -60.02 -47.79 84.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.219 -0.925 . . . . 0.0 109.382 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.66 -42.1 99.43 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.119 -0.988 . . . . 0.0 109.387 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -61.11 -41.49 96.77 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.321 -0.862 . . . . 0.0 109.439 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -60.04 -48.78 80.3 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.155 -0.966 . . . . 0.0 108.992 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.1 -40.1 95.49 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.324 -0.86 . . . . 0.0 108.977 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -60.06 -47.95 83.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.386 -0.821 . . . . 0.0 108.914 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.68 -39.94 93.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.238 -0.914 . . . . 0.0 109.14 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.06 -43.08 95.67 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.444 -0.785 . . . . 0.0 109.466 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.546 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.8 mt-30 -60.81 -40.45 92.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.23 -0.919 . . . . 0.0 110.174 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -60.44 -39.77 88.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.003 -1.061 . . . . 0.0 108.963 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.15 -47.5 85.05 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -123.87 61.1 1.09 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.546 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.209 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -78.03 146.05 35.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.275 -0.89 . . . . 0.0 109.484 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' C' ' 3' ' ' SER . 28.8 p -88.46 61.84 6.32 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 109.006 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -63.93 -40.01 95.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.476 -0.765 . . . . 0.0 109.261 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -41.79 96.78 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.161 -0.962 . . . . 0.0 109.005 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.96 -42.09 98.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.061 -1.024 . . . . 0.0 108.709 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 mt -60.36 -40.02 89.25 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.567 -0.708 . . . . 0.0 109.96 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.94 87.49 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.096 -1.003 . . . . 0.0 108.772 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.67 -46.36 54.58 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.02 -46.19 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.411 -1.052 . . . . 0.0 109.704 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.97 -44.41 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.036 -1.04 . . . . 0.0 108.813 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.05 -39.94 94.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.164 -0.96 . . . . 0.0 109.8 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.06 -41.96 93.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.201 -0.937 . . . . 0.0 109.2 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -60.32 -42.09 94.89 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.052 -1.03 . . . . 0.0 108.756 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.71 -43.54 98.66 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.449 -0.782 . . . . 0.0 109.055 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -60.07 -44.45 94.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.325 -0.859 . . . . 0.0 109.186 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.57 -41.93 98.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.311 -0.868 . . . . 0.0 109.533 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.27 -42.77 96.1 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.322 -0.861 . . . . 0.0 109.207 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.95 -47.64 84.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.258 -0.901 . . . . 0.0 110.057 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.09 -41.1 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.078 -1.014 . . . . 0.0 109.688 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -41.71 86.94 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.442 -0.786 . . . . 0.0 108.972 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -62.12 -41.0 97.8 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.405 -0.81 . . . . 0.0 109.245 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 mtt-85 -61.89 -39.95 93.73 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.439 -0.788 . . . . 0.0 109.865 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.01 -40.1 88.12 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.007 -1.058 . . . . 0.0 109.455 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -60.02 -49.76 76.41 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.152 -0.967 . . . . 0.0 109.06 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.22 -41.86 97.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.958 . . . . 0.0 109.447 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.91 -41.03 95.34 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.349 -0.844 . . . . 0.0 109.025 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . 0.401 ' O ' ' OG1' ' C' ' 31' ' ' THR . 17.3 mt -60.38 -39.98 89.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.451 -0.781 . . . . 0.0 109.421 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.01 -40.45 89.3 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.156 -0.965 . . . . 0.0 109.468 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.456 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 95.9 mt -61.76 -41.66 97.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.145 -0.972 . . . . 0.0 109.542 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' C' ' 28' ' ' LEU . 81.7 p -63.62 -40.36 96.7 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.083 -1.01 . . . . 0.0 109.765 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 71.9 t -61.64 -39.95 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.248 -0.908 . . . . 0.0 109.164 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -60.08 -43.42 95.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.324 -0.86 . . . . 0.0 110.469 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.32 -49.98 72.67 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -59.94 -49.97 75.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.088 -1.242 . . . . 0.0 109.916 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.57 -39.99 93.11 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.183 -0.948 . . . . 0.0 109.685 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.644 ' ND2' HH21 ' C' ' 41' ' ' ARG . 52.0 t-20 -60.02 -40.6 89.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.416 -0.803 . . . . 0.0 109.516 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.42 -40.06 89.66 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.132 -0.98 . . . . 0.0 109.563 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -59.96 -40.57 89.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.102 -0.999 . . . . 0.0 109.719 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' C' ' 43' ' ' THR . 81.5 p -60.11 -40.39 89.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.84 -1.162 . . . . 0.0 108.497 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.688 HH22 HD22 ' A' ' 82' ' ' ASN . 71.3 mtt180 -66.52 -40.04 88.94 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.96 -40.06 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.446 -0.784 . . . . 0.0 109.202 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.464 ' HG1' ' N ' ' C' ' 44' ' ' ALA . 72.4 p -60.05 -39.97 87.78 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.86 -1.136 . . . . 0.0 108.5 179.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . 0.464 ' N ' ' HG1' ' C' ' 43' ' ' THR . . . -59.99 -43.44 95.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.206 -0.934 . . . . 0.0 108.924 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.05 -39.72 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.389 -0.82 . . . . 0.0 109.149 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.03 -39.98 87.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.258 -0.901 . . . . 0.0 110.044 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -62.59 -41.96 99.27 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.77 -1.206 . . . . 0.0 109.048 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 55.3 m-85 -65.76 -39.52 91.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.378 -0.826 . . . . 0.0 109.664 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.99 -39.55 86.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.976 -1.077 . . . . 0.0 108.767 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.95 -40.0 87.5 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -60.01 -39.93 87.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.319 -0.863 . . . . 0.0 109.225 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.523 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.8 OUTLIER -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.755 -1.215 . . . . 0.0 109.058 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.28 -35.87 74.53 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.013 -1.054 . . . . 0.0 108.628 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.96 -40.06 87.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.395 -0.815 . . . . 0.0 108.862 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 66.1 mt -71.3 113.85 8.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.121 -0.987 . . . . 0.0 109.034 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -134.25 -71.15 0.5 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.549 -0.719 . . . . 0.0 109.396 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.93 88.13 1.66 Allowed 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -105.93 142.17 36.09 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.499 -0.751 . . . . 0.0 110.666 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 66.52 6.69 36.3 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.108 -1.597 . . . . 0.0 109.108 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.57 22.94 0.06 Allowed 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.588 -0.948 . . . . 0.0 109.541 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 61' ' ' ALA . . . . . 0.525 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.74 109.6 2.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.14 -0.975 . . . . 0.0 109.686 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -102.13 12.0 37.44 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.135 -0.978 . . . . 0.0 110.283 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . 0.506 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 6.3 mmt-85 -121.91 23.67 9.94 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 177.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . 0.512 ' N ' HE21 ' C' ' 64' ' ' GLN . 0.0 OUTLIER -148.99 151.85 35.28 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.547 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.2 t -106.62 60.6 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.149 -0.969 . . . . 0.0 109.197 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.86 158.15 43.79 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.233 -0.917 . . . . 0.0 109.873 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -129.54 134.28 47.67 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 2.9 t -96.19 122.41 39.02 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.256 -0.902 . . . . 0.0 111.005 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.85 120.74 42.48 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -130.72 80.99 68.73 Favored Pre-proline 0 N--CA 1.498 1.939 0 O-C-N 121.283 -0.885 . . . . 0.0 108.993 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.61 68.43 7.65 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 122.854 2.369 . . . . 0.0 112.421 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.497 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 45.5 t90 -68.28 135.52 91.22 Favored Pre-proline 0 N--CA 1.491 1.584 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.497 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 95.7 Cg_exo -39.52 148.98 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.175 0 C-N-CA 121.383 1.388 . . . . 0.0 111.104 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 2.1 t30 -127.14 -59.46 1.24 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.371 -0.83 . . . . 0.0 109.053 -179.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.3 126.4 36.37 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 30.0 t -80.6 109.03 14.73 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.798 -1.189 . . . . 0.0 108.196 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 mt -79.54 137.31 37.13 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 5.2 t -86.69 115.15 61.31 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.316 -0.865 . . . . 0.0 109.74 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -93.83 -45.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.047 0 C-N-CA 121.892 1.728 . . . . 0.0 113.488 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -121.37 -44.96 2.35 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -177.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.681 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 5.5 p90 -60.08 -49.99 75.48 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.252 -1.53 . . . . 0.0 113.41 -175.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.684 HD22 HH22 ' B' ' 41' ' ' ARG . 62.9 t30 -70.39 -39.77 74.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.144 -1.597 . . . . 0.0 111.164 -178.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -60.06 -49.51 77.38 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.974 -1.079 . . . . 0.0 110.408 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -65.33 -41.84 93.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.473 -1.392 . . . . 0.0 109.863 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 72.5 p -71.7 -39.89 69.89 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.118 -0.989 . . . . 0.0 109.836 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 36.2 t-105 -70.09 -39.97 75.26 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.942 -1.099 . . . . 0.0 109.17 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.01 -40.98 91.11 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 118.849 -1.141 . . . . 0.0 108.573 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.5 -41.27 97.05 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.147 -0.971 . . . . 0.0 108.555 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.482 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 59.7 t90 -60.03 -49.95 75.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.461 -0.774 . . . . 0.0 109.343 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.67 -40.66 97.39 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.352 -0.842 . . . . 0.0 109.39 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -60.02 -44.54 94.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.425 -0.797 . . . . 0.0 110.496 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.01 -41.72 92.76 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.854 -1.154 . . . . 0.0 109.653 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 61.0 t -60.03 -42.13 88.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.152 -0.968 . . . . 0.0 108.947 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.92 -45.54 92.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.42 -0.8 . . . . 0.0 110.264 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -64.77 -39.89 94.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.008 -1.058 . . . . 0.0 109.895 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.16 -40.51 82.34 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 119.005 -1.078 . . . . 0.0 108.891 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.97 -48.74 80.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.128 -0.982 . . . . 0.0 109.09 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.83 -41.86 96.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.398 -0.814 . . . . 0.0 109.517 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -65.94 -40.07 91.04 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.318 -0.864 . . . . 0.0 109.414 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 85.2 mt -68.97 -40.36 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.331 -0.855 . . . . 0.0 109.24 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 35.4 p -62.06 -41.53 98.24 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.159 -0.963 . . . . 0.0 109.264 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.8 76.25 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.296 -0.878 . . . . 0.0 109.261 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.12 -42.71 99.03 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.192 -0.943 . . . . 0.0 109.269 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.0 -48.63 80.91 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.149 -0.969 . . . . 0.0 109.088 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.04 -48.33 82.17 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.116 -0.99 . . . . 0.0 109.345 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.81 -42.83 98.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.255 -0.903 . . . . 0.0 109.216 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.19 93.75 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.324 -0.86 . . . . 0.0 109.437 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.95 -46.3 89.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.121 -0.987 . . . . 0.0 109.498 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . 0.42 HG22 HD11 ' C' ' 109' ' ' ILE . 96.7 mt -60.01 -49.8 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.33 -0.857 . . . . 0.0 109.351 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -65.39 -40.02 92.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.247 -0.908 . . . . 0.0 109.753 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.98 -47.11 87.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.307 -0.871 . . . . 0.0 109.476 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.74 -41.05 98.09 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.171 -0.956 . . . . 0.0 109.479 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -62.12 -41.18 97.98 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.319 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -59.96 -48.77 80.36 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.148 -0.97 . . . . 0.0 109.112 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.19 -40.22 95.63 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.291 -0.88 . . . . 0.0 108.919 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -59.99 -47.89 83.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.381 -0.825 . . . . 0.0 108.959 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.73 -40.08 93.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.182 -0.948 . . . . 0.0 109.09 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.02 -42.88 95.3 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.453 -0.779 . . . . 0.0 109.359 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.8 mt-30 -60.99 -40.84 95.04 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.272 -0.892 . . . . 0.0 110.049 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -59.97 -39.32 85.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.983 -1.073 . . . . 0.0 109.288 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.78 -47.47 85.56 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -123.77 61.32 1.08 Allowed 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.544 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.245 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.463 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 48.0 mt-30 -69.64 143.91 53.09 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.257 -0.902 . . . . 0.0 109.467 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -89.15 59.97 5.16 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.375 -0.828 . . . . 0.0 108.878 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -62.91 -40.11 96.58 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.331 -0.855 . . . . 0.0 109.023 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 14.5 t -61.49 -44.9 96.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.378 -0.826 . . . . 0.0 109.906 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.458 ' N ' ' CG2' ' A' ' 5' ' ' THR . 57.3 tp -60.34 -42.46 95.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.028 . . . . 0.0 109.231 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.5 mt -60.48 -39.95 89.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.424 -0.797 . . . . 0.0 109.888 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.08 87.74 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.82 -48.23 50.26 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.06 -47.74 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.24 -1.153 . . . . 0.0 109.664 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.93 -41.09 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.061 -1.025 . . . . 0.0 108.949 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -60.12 -40.2 88.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.529 -0.732 . . . . 0.0 109.536 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -59.92 -41.62 92.14 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.303 -0.873 . . . . 0.0 109.49 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.15 -41.03 96.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.953 -1.092 . . . . 0.0 109.11 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.14 -45.72 92.06 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.35 -0.844 . . . . 0.0 108.866 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.82 -43.38 98.3 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.297 -0.877 . . . . 0.0 109.663 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.81 -41.79 98.2 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.213 -0.929 . . . . 0.0 109.475 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.17 -43.61 95.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.163 -0.961 . . . . 0.0 109.244 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -60.29 -47.79 84.49 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.353 -0.842 . . . . 0.0 109.638 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.6 t -60.03 -40.4 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.973 -1.08 . . . . 0.0 109.95 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.05 -43.08 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.196 -0.94 . . . . 0.0 108.532 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -61.36 -40.78 95.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.388 -0.82 . . . . 0.0 109.176 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' NH1' HD21 ' B' ' 99' ' ' ASN . 30.1 mmt180 -60.59 -40.07 90.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.277 -0.89 . . . . 0.0 109.537 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.89 -40.29 92.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.04 -1.038 . . . . 0.0 109.724 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.01 -48.96 79.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.147 -0.971 . . . . 0.0 109.156 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.14 -43.53 95.63 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.309 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.1 -41.37 98.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.359 -0.838 . . . . 0.0 109.26 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.09 -40.36 89.35 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.501 -0.75 . . . . 0.0 109.358 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.4 -41.35 93.69 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.272 -0.892 . . . . 0.0 109.788 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.475 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 78.6 mt -64.36 -40.43 95.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.99 -1.069 . . . . 0.0 109.32 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.1 p -64.23 -40.24 95.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.181 -0.949 . . . . 0.0 109.574 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.06 -40.1 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.358 -0.839 . . . . 0.0 109.54 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -60.15 -41.88 93.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.322 -0.861 . . . . 0.0 109.805 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.17 -44.41 97.42 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -60.09 -49.99 75.47 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.173 -1.192 . . . . 0.0 109.385 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -63.11 -39.89 96.01 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.321 -0.862 . . . . 0.0 109.046 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.576 HD22 ' NH2' ' A' ' 41' ' ' ARG . 59.5 t-20 -60.03 -40.64 90.06 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.39 -0.819 . . . . 0.0 109.773 -178.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.63 -39.93 90.09 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.06 -1.025 . . . . 0.0 108.507 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.2 -40.61 90.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.163 -0.96 . . . . 0.0 109.388 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.4 p -60.73 -41.24 94.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.825 -1.172 . . . . 0.0 108.85 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.576 ' NH2' HD22 ' A' ' 37' ' ' ASN . 29.4 mtt-85 -65.6 -39.97 92.15 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.5 t -60.34 -42.37 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.574 -0.704 . . . . 0.0 109.319 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.418 ' HG1' ' N ' ' A' ' 44' ' ' ALA . 54.5 p -60.12 -40.02 88.28 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.924 -1.11 . . . . 0.0 109.177 -179.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.418 ' N ' ' HG1' ' A' ' 43' ' ' THR . . . -62.31 -40.28 95.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.999 -1.063 . . . . 0.0 108.228 178.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.13 -38.66 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.759 -0.588 . . . . 0.0 109.904 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.99 -41.04 91.18 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.62 -46.07 91.66 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 119.803 -0.759 . . . . 0.0 109.204 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 45.8 m-85 -64.27 -39.98 95.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 110.193 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.18 -41.08 92.15 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.724 -1.235 . . . . 0.0 109.118 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -60.28 -39.92 88.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.783 -1.198 . . . . 0.0 109.177 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.07 -37.91 81.27 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.501 -0.749 . . . . 0.0 109.143 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.515 ' OE1' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.23 -39.76 83.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 0.0 108.336 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.428 ' O ' ' OD1' ' A' ' 56' ' ' ASN . . . -59.66 -35.97 75.49 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.124 -0.985 . . . . 0.0 109.108 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.14 -39.77 83.45 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.395 -0.816 . . . . 0.0 108.838 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.6 mt -79.43 113.5 17.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.833 -1.167 . . . . 0.0 108.674 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' A' ' 53' ' ' ALA . 33.7 m120 -132.98 -68.16 0.6 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.476 -0.765 . . . . 0.0 109.265 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.35 88.36 1.57 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.438 ' C ' ' H ' ' A' ' 60' ' ' ALA . 46.6 m95 -109.0 147.32 32.48 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.55 -0.718 . . . . 0.0 110.236 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.538 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.36 0.52 11.27 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -72.06 25.75 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.524 -0.986 . . . . 0.0 109.554 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.538 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.68 115.08 3.01 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.024 -1.048 . . . . 0.0 109.891 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -112.38 12.6 20.17 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 121.49 -0.756 . . . . 0.0 110.698 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.586 HH21 HH21 ' C' ' 63' ' ' ARG . 6.0 ptp180 -133.4 25.35 4.13 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -142.59 151.63 41.72 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 t -105.2 59.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.094 -1.004 . . . . 0.0 108.752 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.36 157.59 40.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.298 -0.876 . . . . 0.0 110.2 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -129.26 133.22 47.41 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.5 t -96.89 119.22 34.97 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.236 -0.915 . . . . 0.0 110.625 -177.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.8 t -117.14 120.73 39.21 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.42 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 81.9 t -126.07 91.04 48.93 Favored Pre-proline 0 N--CA 1.502 2.133 0 O-C-N 121.311 -0.868 . . . . 0.0 109.53 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -85.8 62.37 5.34 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.759 2.306 . . . . 0.0 112.363 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.524 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 55.7 t90 -69.98 130.31 90.03 Favored Pre-proline 0 N--CA 1.49 1.574 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.524 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 80.2 Cg_exo -40.46 146.67 0.28 Allowed 'Trans proline' 0 N--CA 1.488 1.181 0 C-N-CA 121.055 1.17 . . . . 0.0 111.176 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.515 ' ND2' ' OE1' ' A' ' 52' ' ' GLN . 10.3 t-20 -132.61 10.03 4.33 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.367 -0.833 . . . . 0.0 109.21 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.34 121.61 8.98 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.4 p -82.07 105.0 12.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.83 -1.169 . . . . 0.0 108.595 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.1 mt -82.14 137.22 35.02 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.444 ' OG1' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -88.24 113.57 55.71 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.132 -0.98 . . . . 0.0 109.448 179.216 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -95.02 -48.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.031 0 C-N-CA 121.587 1.525 . . . . 0.0 113.869 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.59 -46.91 2.12 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.208 -0.932 . . . . 0.0 112.926 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.686 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 7.5 p90 -60.06 -56.71 18.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.256 -1.527 . . . . 0.0 112.156 -176.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.686 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.5 OUTLIER -80.09 -36.4 35.54 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.421 -1.424 . . . . 0.0 109.597 -179.208 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -60.06 -49.88 75.91 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.07 -1.018 . . . . 0.0 109.384 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.56 -44.56 96.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.936 -1.103 . . . . 0.0 109.679 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.8 p -63.54 -40.08 96.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.021 -1.049 . . . . 0.0 109.682 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.405 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 47.0 t-105 -61.78 -39.86 93.15 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.935 -1.103 . . . . 0.0 109.788 -179.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.23 -42.67 95.72 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.892 -1.13 . . . . 0.0 108.865 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.13 -43.16 95.88 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.508 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 72.0 t90 -60.0 -50.14 74.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.543 -0.723 . . . . 0.0 109.761 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -64.05 -40.4 96.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.095 -1.003 . . . . 0.0 109.641 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -64.81 -40.07 94.61 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.098 -1.001 . . . . 0.0 110.226 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.08 -41.88 93.42 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.783 -1.198 . . . . 0.0 109.156 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.85 -40.47 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.04 -1.037 . . . . 0.0 109.411 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.61 -41.47 94.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.128 -0.982 . . . . 0.0 110.6 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -69.86 -39.99 76.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.905 -1.122 . . . . 0.0 109.8 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.57 -40.42 92.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.217 -0.927 . . . . 0.0 109.668 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.27 -49.15 78.73 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.142 -0.974 . . . . 0.0 108.909 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.34 -43.25 96.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.393 -0.817 . . . . 0.0 109.405 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.481 HD21 ' NH1' ' C' ' 23' ' ' ARG . 98.6 m-20 -63.17 -40.62 98.06 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.298 -0.876 . . . . 0.0 109.888 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 85.5 mt -66.32 -41.88 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.993 -1.067 . . . . 0.0 109.16 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.5 p -60.88 -41.3 95.72 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.095 -1.003 . . . . 0.0 109.263 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.01 -46.29 91.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.172 -0.955 . . . . 0.0 109.574 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.08 -44.49 96.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.382 -0.824 . . . . 0.0 109.751 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.15 -40.24 95.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.177 -0.952 . . . . 0.0 108.979 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.77 -41.9 96.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.205 -0.934 . . . . 0.0 109.628 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.16 -39.95 78.46 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.103 -0.998 . . . . 0.0 109.201 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.429 ' N ' HE22 ' C' ' 16' ' ' GLN . . . -61.58 -43.82 98.16 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.352 -0.842 . . . . 0.0 109.674 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.08 -48.06 83.31 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.138 -0.976 . . . . 0.0 109.194 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.14 -49.75 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.222 -0.924 . . . . 0.0 108.957 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -63.63 -40.89 98.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.588 -0.695 . . . . 0.0 109.802 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -60.12 -49.85 75.99 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.983 -1.073 . . . . 0.0 109.275 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -62.04 -40.62 96.38 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.424 -0.798 . . . . 0.0 109.714 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -64.57 -40.23 95.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.331 -0.856 . . . . 0.0 109.768 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -68.23 -40.46 82.03 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.985 -1.072 . . . . 0.0 109.514 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.88 -39.99 75.95 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.212 -0.93 . . . . 0.0 108.83 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . 0.594 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 64.9 t80 -60.33 -48.65 80.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.614 -0.679 . . . . 0.0 109.357 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.28 -40.0 92.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.133 -0.979 . . . . 0.0 109.587 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.23 -42.86 96.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.195 -0.94 . . . . 0.0 109.857 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.6 mt-30 -61.25 -40.16 93.01 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.11 -0.994 . . . . 0.0 110.036 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.594 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.2 mmtm -60.11 -39.59 86.72 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.227 -0.921 . . . . 0.0 109.277 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 98.8 mt -57.67 -47.34 82.58 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -124.16 60.58 1.13 Allowed 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.8 p . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.993 -1.003 . . . . 0.0 108.942 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.508 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 48.7 mt-30 -69.96 144.18 52.43 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.277 -0.889 . . . . 0.0 109.539 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -89.25 60.6 5.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.134 -0.978 . . . . 0.0 108.656 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.57 -39.97 95.76 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.405 -0.809 . . . . 0.0 109.006 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 15.0 t -61.69 -44.85 96.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.579 -0.701 . . . . 0.0 109.806 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' B' ' 5' ' ' THR . 55.9 tp -60.19 -42.62 95.43 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.053 -1.029 . . . . 0.0 108.927 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 59.7 mt -60.64 -39.89 89.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.326 -0.859 . . . . 0.0 109.875 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.0 87.33 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.915 -1.115 . . . . 0.0 108.113 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.79 -48.37 49.53 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.95 -47.56 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.214 -1.168 . . . . 0.0 109.621 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.14 -41.11 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.182 -0.949 . . . . 0.0 109.107 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -60.05 -40.21 88.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.445 -0.785 . . . . 0.0 109.222 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.05 -41.63 92.74 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.252 -0.905 . . . . 0.0 109.438 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.89 -41.22 95.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.073 -1.017 . . . . 0.0 109.168 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.94 -45.71 91.74 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.312 -0.867 . . . . 0.0 109.036 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.453 HE22 ' N ' ' C' ' 107' ' ' ALA . 28.4 mt-30 -60.77 -43.37 98.12 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.372 -0.83 . . . . 0.0 109.574 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.99 -42.33 99.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.323 -0.861 . . . . 0.0 109.506 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.1 tp -59.94 -43.44 94.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.164 -0.96 . . . . 0.0 109.242 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.27 -47.62 85.23 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.299 -0.876 . . . . 0.0 109.776 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -60.35 -40.21 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.156 -0.965 . . . . 0.0 109.916 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.18 -42.39 90.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.277 -0.889 . . . . 0.0 108.844 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -62.17 -40.27 95.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.547 -0.72 . . . . 0.0 109.221 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.574 ' NH1' HD21 ' C' ' 99' ' ' ASN . 30.2 mmt180 -61.11 -40.05 92.31 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.818 . . . . 0.0 109.397 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.28 -39.98 92.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.084 -1.01 . . . . 0.0 109.511 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.0 -48.78 80.31 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.088 -1.008 . . . . 0.0 109.057 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.61 -43.6 97.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.242 -0.911 . . . . 0.0 109.348 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.78 -41.56 97.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.223 -0.923 . . . . 0.0 109.264 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.12 -40.12 88.61 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.516 -0.74 . . . . 0.0 109.323 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -60.48 -41.14 93.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 109.848 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.506 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 80.5 mt -64.53 -40.48 95.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.106 -0.996 . . . . 0.0 109.369 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 61.3 p -64.29 -40.05 95.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.174 -0.954 . . . . 0.0 109.529 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.3 -40.2 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.264 -0.897 . . . . 0.0 109.472 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -59.95 -42.1 93.3 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.215 -0.928 . . . . 0.0 109.93 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -44.75 96.92 Favored Glycine 0 N--CA 1.486 2.026 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 89.4 m -60.16 -50.01 75.35 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.124 -1.221 . . . . 0.0 109.115 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -62.91 -39.94 96.09 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.263 -0.898 . . . . 0.0 109.19 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.562 HD22 ' NH2' ' B' ' 41' ' ' ARG . 60.3 t-20 -59.99 -40.55 89.58 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.223 -0.923 . . . . 0.0 109.66 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -60.29 -40.05 89.08 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.921 -1.112 . . . . 0.0 108.653 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.02 -41.0 91.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.202 -0.936 . . . . 0.0 109.36 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 46.5 p -60.28 -41.54 93.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.021 -1.049 . . . . 0.0 108.935 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.562 ' NH2' HD22 ' B' ' 37' ' ' ASN . 28.4 mtt-85 -65.68 -40.05 91.95 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.28 -42.2 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.539 -0.726 . . . . 0.0 109.464 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.428 ' HG1' ' N ' ' B' ' 44' ' ' ALA . 51.1 p -60.0 -40.1 88.04 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.03 -1.044 . . . . 0.0 109.24 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.428 ' N ' ' HG1' ' B' ' 43' ' ' THR . . . -62.9 -40.07 96.44 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.6 mt -63.09 -38.43 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.756 -0.59 . . . . 0.0 109.761 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.04 -41.24 91.85 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.29 -46.27 90.44 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.489 -0.757 . . . . 0.0 109.318 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.448 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 46.3 m-85 -63.86 -40.3 96.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.417 -0.802 . . . . 0.0 110.112 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.06 -40.4 89.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.779 -1.2 . . . . 0.0 109.147 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.21 -39.84 91.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.748 -1.22 . . . . 0.0 109.012 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.03 -37.88 81.08 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.438 -0.789 . . . . 0.0 109.291 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.5 ' OE1' ' ND2' ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.22 -39.87 84.06 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.122 -0.986 . . . . 0.0 108.417 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.427 ' O ' ' OD1' ' B' ' 56' ' ' ASN . . . -59.42 -35.75 74.58 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.244 -0.91 . . . . 0.0 109.204 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.25 -40.04 84.72 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -79.41 113.57 17.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.914 -1.116 . . . . 0.0 108.677 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' B' ' 53' ' ' ALA . 33.2 m120 -133.01 -68.79 0.58 Allowed 'General case' 0 N--CA 1.5 2.039 0 CA-C-O 121.571 0.7 . . . . 0.0 109.397 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.54 88.04 1.61 Allowed 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' TRP . . . . . 0.444 ' C ' ' H ' ' B' ' 60' ' ' ALA . 47.8 m95 -108.73 146.81 32.94 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.497 -0.752 . . . . 0.0 110.428 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.538 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.58 0.61 12.78 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.023 -1.631 . . . . 0.0 109.023 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.444 ' H ' ' C ' ' B' ' 58' ' ' TRP . . . -71.89 25.28 0.05 OUTLIER 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.472 -1.017 . . . . 0.0 109.43 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.538 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.46 115.31 3.11 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.825 -1.172 . . . . 0.0 109.946 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -112.78 12.44 19.57 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.607 -0.683 . . . . 0.0 110.604 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.523 HH21 HH21 ' C' ' 63' ' ' ARG . 5.9 ptp180 -132.91 25.3 4.3 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -142.61 151.77 41.83 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.7 t -105.38 59.35 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.004 -1.06 . . . . 0.0 108.582 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.12 157.34 40.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.0 110.207 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -129.22 133.49 47.56 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 4.4 t -97.18 119.58 35.94 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.198 -0.939 . . . . 0.0 110.497 -177.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 6.2 t -117.29 120.63 38.83 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.4 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 93.9 t -125.99 90.73 49.65 Favored Pre-proline 0 N--CA 1.503 2.185 0 O-C-N 121.371 -0.831 . . . . 0.0 109.658 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -85.51 62.43 5.61 Favored 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 122.455 2.104 . . . . 0.0 112.344 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.527 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 54.2 t90 -69.96 129.98 90.38 Favored Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.256 -0.903 . . . . 0.0 108.604 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.527 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 81.4 Cg_exo -40.09 146.71 0.24 Allowed 'Trans proline' 0 N--CA 1.49 1.302 0 C-N-CA 121.114 1.209 . . . . 0.0 111.113 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.5 ' ND2' ' OE1' ' B' ' 52' ' ' GLN . 10.5 t-20 -132.79 9.86 4.25 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.247 -0.908 . . . . 0.0 109.148 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.24 121.39 8.9 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 96.2 p -81.95 105.01 12.72 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.963 -1.086 . . . . 0.0 108.81 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 26.0 mt -82.36 137.18 34.83 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.442 ' OG1' ' CB ' ' B' ' 82' ' ' ASN . 0.0 OUTLIER -88.4 113.26 54.59 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.298 -0.876 . . . . 0.0 109.306 179.472 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -94.97 -47.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 121.664 1.576 . . . . 0.0 113.901 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -123.04 -46.51 2.08 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.285 -0.885 . . . . 0.0 112.932 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.694 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 7.8 p90 -60.4 -56.94 15.37 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.343 -1.473 . . . . 0.0 112.179 -176.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.694 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.5 OUTLIER -79.99 -36.59 35.78 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.461 -1.399 . . . . 0.0 109.618 -179.326 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -59.94 -49.59 77.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.069 -1.019 . . . . 0.0 109.553 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.81 -44.5 96.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.063 -1.023 . . . . 0.0 109.757 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 66.8 p -63.34 -40.05 96.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.032 -1.042 . . . . 0.0 109.822 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . 0.407 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 47.0 t-105 -61.93 -40.02 94.06 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.064 -1.023 . . . . 0.0 109.576 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.13 -43.12 95.93 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.067 -1.053 . . . . 0.0 108.749 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.15 -42.76 95.6 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.475 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 71.8 t90 -60.05 -49.76 76.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.324 -0.86 . . . . 0.0 109.954 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -64.55 -40.4 95.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 109.486 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -64.24 -40.29 95.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.16 -0.963 . . . . 0.0 110.337 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -59.99 -42.11 93.51 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.823 -1.173 . . . . 0.0 109.145 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.59 -40.44 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.097 -1.002 . . . . 0.0 109.498 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.77 -41.21 95.08 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.106 -0.996 . . . . 0.0 110.514 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -69.9 -40.1 75.84 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.946 -1.096 . . . . 0.0 109.78 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.68 -40.33 92.25 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.153 -0.967 . . . . 0.0 109.617 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.17 -49.13 78.85 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.078 -1.014 . . . . 0.0 109.122 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.31 -43.31 96.47 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.355 -0.841 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.437 HD21 ' NH1' ' A' ' 23' ' ' ARG . 98.6 m-20 -63.27 -40.37 97.21 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.299 -0.876 . . . . 0.0 109.984 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 86.6 mt -66.55 -41.5 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.143 -0.973 . . . . 0.0 109.123 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 24.2 p -61.59 -40.48 94.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.085 -1.009 . . . . 0.0 109.168 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.74 92.32 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.242 -0.911 . . . . 0.0 109.545 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.66 -43.46 98.76 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.186 -0.946 . . . . 0.0 109.913 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.24 -40.13 96.56 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.081 -1.012 . . . . 0.0 108.988 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.37 -42.25 95.44 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.254 -0.904 . . . . 0.0 109.522 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -68.88 -39.99 79.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.081 -1.012 . . . . 0.0 109.233 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.97 97.82 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.375 -0.828 . . . . 0.0 109.501 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.16 -48.09 83.19 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.174 -0.954 . . . . 0.0 109.149 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.413 HG22 HD11 ' B' ' 109' ' ' ILE . 96.9 mt -60.19 -49.34 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.113 -0.992 . . . . 0.0 109.254 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -64.13 -40.47 96.25 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.372 -0.83 . . . . 0.0 109.956 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.24 -50.0 75.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.018 -1.051 . . . . 0.0 109.413 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.59 -40.97 96.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.336 -0.853 . . . . 0.0 109.607 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -64.56 -40.09 94.94 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.276 -0.89 . . . . 0.0 109.944 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -68.02 -40.59 82.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.022 -1.049 . . . . 0.0 109.606 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -69.72 -40.36 76.3 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.206 -0.934 . . . . 0.0 108.906 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . 0.596 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 64.9 t80 -59.76 -49.28 78.35 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.624 -0.672 . . . . 0.0 109.409 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.72 -40.31 91.85 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.167 -0.958 . . . . 0.0 109.69 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.04 -42.89 95.43 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.285 -0.885 . . . . 0.0 110.062 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.6 mt-30 -61.18 -40.21 93.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.048 -1.032 . . . . 0.0 110.067 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . 0.596 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.2 mmtm -60.03 -39.3 85.42 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.014 -1.054 . . . . 0.0 109.398 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 98.9 mt -58.21 -46.94 84.95 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -124.12 60.48 1.13 Allowed 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.465 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.8 p . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.093 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . 0.553 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 48.5 mt-30 -69.78 144.28 52.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.262 -0.899 . . . . 0.0 109.626 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -89.37 60.61 5.32 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 0.0 108.772 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -63.39 -39.97 95.95 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.323 -0.861 . . . . 0.0 109.006 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.449 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 14.8 t -61.68 -45.01 95.81 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.557 -0.714 . . . . 0.0 109.829 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.449 ' N ' ' CG2' ' C' ' 5' ' ' THR . 55.5 tp -60.46 -41.74 94.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.116 -0.99 . . . . 0.0 109.102 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 59.6 mt -61.17 -39.85 91.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.45 -0.781 . . . . 0.0 109.827 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.02 87.41 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.17 -47.8 50.68 Favored Glycine 0 N--CA 1.486 2.026 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.14 -47.52 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.268 -1.137 . . . . 0.0 109.604 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.12 -41.26 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.265 -0.897 . . . . 0.0 108.974 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -60.11 -40.12 88.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.621 -0.674 . . . . 0.0 109.436 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -60.16 -41.53 93.02 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.354 -0.841 . . . . 0.0 109.419 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -61.24 -40.91 95.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.081 -1.012 . . . . 0.0 109.182 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -60.25 -45.26 93.87 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.38 -0.825 . . . . 0.0 108.857 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . 0.429 HE22 ' N ' ' A' ' 107' ' ' ALA . 28.2 mt-30 -61.53 -42.56 99.0 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.342 -0.849 . . . . 0.0 109.491 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.56 -42.01 99.27 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.143 -0.973 . . . . 0.0 109.463 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.2 -43.27 96.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.129 -0.982 . . . . 0.0 109.097 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.11 -47.91 83.93 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.394 -0.816 . . . . 0.0 109.752 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -60.16 -40.53 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.254 -0.903 . . . . 0.0 109.754 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.27 -42.09 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.029 -1.044 . . . . 0.0 108.767 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -62.18 -40.45 96.08 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.481 ' NH1' HD21 ' A' ' 99' ' ' ASN . 30.2 mmt180 -60.79 -40.34 92.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.59 -40.33 91.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.008 -1.057 . . . . 0.0 109.757 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.04 -48.89 79.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.192 -0.942 . . . . 0.0 108.985 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.41 -43.34 96.81 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.203 -0.936 . . . . 0.0 109.516 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.0 tp -62.54 -40.95 98.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.162 -0.961 . . . . 0.0 109.181 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.16 -40.23 89.19 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.465 -0.772 . . . . 0.0 109.231 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -60.35 -41.83 94.49 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.276 -0.89 . . . . 0.0 109.714 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.508 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 79.7 mt -63.9 -40.57 96.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.139 -0.975 . . . . 0.0 109.215 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 59.2 p -64.05 -40.02 95.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.139 -0.975 . . . . 0.0 109.66 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.41 -40.09 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.444 -0.785 . . . . 0.0 109.643 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -60.09 -41.87 93.42 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.339 -0.85 . . . . 0.0 109.807 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.26 -44.69 97.22 Favored Glycine 0 N--CA 1.487 2.053 0 C-N-CA 119.351 -1.405 . . . . 0.0 109.681 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 85.5 m -60.02 -49.94 75.69 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.153 -1.204 . . . . 0.0 109.269 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -63.07 -39.82 95.84 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.213 -0.93 . . . . 0.0 109.054 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.536 HD22 ' NH2' ' C' ' 41' ' ' ARG . 60.4 t-20 -60.12 -40.57 90.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.279 -0.888 . . . . 0.0 109.641 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.36 -39.9 88.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.07 -1.019 . . . . 0.0 108.701 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.06 -40.76 90.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 109.428 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' C' ' 43' ' ' THR . 44.7 p -60.91 -41.33 95.91 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.897 -1.127 . . . . 0.0 108.857 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.536 ' NH2' HD22 ' C' ' 37' ' ' ASN . 28.9 mtt-85 -65.56 -39.99 92.32 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.54 -42.12 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.53 -0.731 . . . . 0.0 109.487 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' C' ' 40' ' ' THR . 48.2 p -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.876 -1.14 . . . . 0.0 109.059 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . 0.41 ' N ' ' HG1' ' C' ' 43' ' ' THR . . . -62.74 -40.49 97.39 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.75 -39.04 83.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.712 -0.617 . . . . 0.0 109.781 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.91 -41.18 91.12 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.35 -45.91 91.8 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.163 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.45 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 45.8 m-85 -64.27 -40.02 95.11 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.554 -0.716 . . . . 0.0 110.229 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.04 -41.43 92.23 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.655 -1.278 . . . . 0.0 109.166 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -60.23 -39.98 88.6 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.751 -1.218 . . . . 0.0 109.206 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.97 -37.74 80.49 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.437 -0.79 . . . . 0.0 109.168 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.519 ' OE1' ' ND2' ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.71 -39.43 84.6 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.035 -1.041 . . . . 0.0 108.504 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . 0.416 ' O ' ' OD1' ' C' ' 56' ' ' ASN . . . -60.02 -35.67 75.58 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.176 -0.952 . . . . 0.0 108.998 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.15 -39.92 83.94 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.357 -0.84 . . . . 0.0 108.957 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 85.8 mt -79.53 113.7 17.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.871 -1.143 . . . . 0.0 108.627 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' C' ' 53' ' ' ALA . 33.7 m120 -133.15 -68.69 0.58 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.465 -0.772 . . . . 0.0 109.217 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.64 88.01 1.6 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 58' ' ' TRP . . . . . 0.424 ' C ' ' H ' ' C' ' 60' ' ' ALA . 47.1 m95 -108.52 146.99 32.37 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.489 -0.757 . . . . 0.0 110.472 -179.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . 0.524 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.86 0.69 14.71 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -72.27 25.51 0.05 Allowed 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.526 -0.985 . . . . 0.0 109.622 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 61' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.62 115.64 3.11 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.037 -1.04 . . . . 0.0 109.969 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -112.85 12.54 19.5 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.658 -0.651 . . . . 0.0 110.503 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . 0.586 HH21 HH21 ' A' ' 63' ' ' ARG . 5.8 ptp180 -133.17 24.98 4.21 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -142.04 151.89 42.85 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 t -105.52 59.15 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.133 -0.979 . . . . 0.0 108.726 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.27 157.58 40.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.341 -0.849 . . . . 0.0 110.079 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -129.4 133.26 47.28 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -96.61 119.4 35.02 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.218 -0.926 . . . . 0.0 110.636 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 6.3 t -117.01 120.46 38.45 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.409 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 87.5 t -126.04 90.83 49.41 Favored Pre-proline 0 N--CA 1.503 2.203 0 O-C-N 121.244 -0.91 . . . . 0.0 109.489 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -85.72 62.59 5.45 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.569 2.18 . . . . 0.0 112.177 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.518 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 52.7 t90 -69.98 130.05 90.28 Favored Pre-proline 0 N--CA 1.492 1.662 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.518 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 82.6 Cg_exo -40.55 146.88 0.27 Allowed 'Trans proline' 0 N--CA 1.489 1.213 0 C-N-CA 120.976 1.118 . . . . 0.0 111.213 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.519 ' ND2' ' OE1' ' C' ' 52' ' ' GLN . 10.7 t-20 -132.9 10.07 4.22 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.307 -0.871 . . . . 0.0 109.135 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.38 121.54 8.92 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 94.3 p -82.09 105.19 12.99 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.814 -1.178 . . . . 0.0 108.724 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 25.3 mt -82.51 137.48 34.61 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.446 ' OG1' ' CB ' ' C' ' 82' ' ' ASN . 0.0 OUTLIER -88.43 113.13 54.04 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.315 -0.866 . . . . 0.0 109.522 179.274 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -95.11 -47.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.005 0 C-N-CA 121.618 1.545 . . . . 0.0 113.967 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -122.78 -46.72 2.1 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.309 -0.869 . . . . 0.0 112.911 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.697 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 8.0 p90 -60.35 -56.62 19.21 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.314 -1.491 . . . . 0.0 112.276 -176.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.697 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.5 OUTLIER -80.19 -36.47 34.89 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.406 -1.434 . . . . 0.0 109.507 -179.18 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.01 -49.61 77.0 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.949 -1.095 . . . . 0.0 109.644 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.98 -44.39 97.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.051 -1.031 . . . . 0.0 109.669 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 67.8 p -63.65 -40.05 95.89 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.255 -0.978 . . . . 0.0 109.925 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . 0.404 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 47.4 t-105 -61.86 -40.08 94.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.117 -0.989 . . . . 0.0 109.57 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.16 -42.68 95.43 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.81 -1.181 . . . . 0.0 108.783 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.02 -42.92 95.37 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.506 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 71.7 t90 -60.11 -49.83 76.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.565 -0.709 . . . . 0.0 109.86 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.41 -40.11 95.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.146 -0.971 . . . . 0.0 109.536 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -65.18 -40.03 93.69 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.219 -0.926 . . . . 0.0 110.217 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -59.96 -42.05 93.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.8 -1.188 . . . . 0.0 109.093 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.64 -40.5 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.983 -1.073 . . . . 0.0 109.522 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.41 -41.39 93.83 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.108 -0.995 . . . . 0.0 110.663 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -70.04 -40.05 75.38 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.024 -1.048 . . . . 0.0 109.571 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 98.0 mt -65.57 -40.84 93.24 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.177 -0.952 . . . . 0.0 109.478 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.1 -48.96 79.55 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.087 -1.008 . . . . 0.0 109.194 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.34 -43.11 96.76 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.268 -0.895 . . . . 0.0 109.395 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . 0.574 HD21 ' NH1' ' B' ' 23' ' ' ARG . 98.6 m-20 -63.17 -40.82 98.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.328 -0.858 . . . . 0.0 109.828 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 88.8 mt -65.88 -42.09 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 120.943 -1.098 . . . . 0.0 109.228 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 24.9 p -61.27 -40.8 95.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.042 -1.036 . . . . 0.0 109.293 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.16 -46.47 90.39 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.359 -0.838 . . . . 0.0 109.669 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.41 -44.02 97.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.277 -0.889 . . . . 0.0 109.819 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.55 -40.12 95.79 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.155 -0.966 . . . . 0.0 109.021 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.57 -42.02 95.78 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.362 -0.836 . . . . 0.0 109.663 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.25 -40.04 78.09 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.3 -0.875 . . . . 0.0 109.183 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . 0.453 ' N ' HE22 ' B' ' 16' ' ' GLN . . . -61.72 -43.74 98.27 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.262 -0.899 . . . . 0.0 109.743 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.22 -48.1 83.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.195 -0.941 . . . . 0.0 108.97 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . 0.423 HG22 HD11 ' C' ' 109' ' ' ILE . 97.1 mt -60.15 -50.04 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.255 -0.903 . . . . 0.0 109.069 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.39 -40.84 98.32 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.278 -0.889 . . . . 0.0 109.939 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.08 -49.97 75.54 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.015 -1.053 . . . . 0.0 109.202 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -61.62 -41.04 96.92 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.282 -0.886 . . . . 0.0 109.726 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -64.63 -40.05 94.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.15 -0.969 . . . . 0.0 109.787 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -68.04 -40.63 82.82 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.027 -1.045 . . . . 0.0 109.387 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.48 -40.18 77.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.056 -1.028 . . . . 0.0 108.877 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . 0.6 ' CZ ' ' NZ ' ' C' ' 120' ' ' LYS . 65.5 t80 -59.98 -48.63 80.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.622 -0.674 . . . . 0.0 109.61 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.27 -40.26 93.42 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.136 -0.978 . . . . 0.0 109.512 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.94 -43.44 94.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.851 . . . . 0.0 109.995 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.6 mt-30 -60.89 -40.15 91.98 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.045 -1.034 . . . . 0.0 110.243 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . 0.6 ' NZ ' ' CZ ' ' C' ' 116' ' ' TYR . 39.5 mmtm -60.0 -38.85 83.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.089 -1.007 . . . . 0.0 109.657 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 98.5 mt -58.5 -46.98 85.61 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -124.41 60.65 1.15 Allowed 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.473 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.9 p . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.088 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.288 0.566 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.29 144.38 51.76 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.309 -0.869 . . . . 0.0 109.32 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -90.41 59.6 4.39 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.113 -0.992 . . . . 0.0 109.624 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -63.56 -39.95 95.72 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 14.9 t -59.99 -42.75 94.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.3 -0.875 . . . . 0.0 109.706 -179.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.415 ' N ' ' CG2' ' A' ' 5' ' ' THR . 64.6 tp -60.02 -41.55 92.43 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.7 -38.49 91.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.695 -0.628 . . . . 0.0 109.468 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.02 87.4 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.12 -0.988 . . . . 0.0 108.677 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.8 -45.22 59.08 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.423 HG22 HD11 ' A' ' 10' ' ' ILE . 93.8 mt -60.0 -48.35 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.308 -1.113 . . . . 0.0 109.876 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.0 -43.89 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.09 -1.006 . . . . 0.0 109.492 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.19 -39.98 96.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.335 -0.853 . . . . 0.0 109.993 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -59.96 -40.7 89.94 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.162 -0.961 . . . . 0.0 109.111 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -61.84 -40.29 94.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.05 -1.031 . . . . 0.0 109.405 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -59.89 -46.11 90.39 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.367 -0.833 . . . . 0.0 109.402 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -59.94 -43.74 94.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.378 -0.826 . . . . 0.0 109.453 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.8 mt -60.88 -42.19 97.44 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.334 -0.853 . . . . 0.0 109.085 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.86 -43.74 97.97 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.331 -0.856 . . . . 0.0 108.818 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.404 ' OD1' ' NE ' ' A' ' 23' ' ' ARG . 7.4 t0 -60.03 -47.43 85.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.194 -0.942 . . . . 0.0 109.825 -179.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.7 -41.87 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.042 -1.036 . . . . 0.0 109.046 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.06 -46.07 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.435 -0.791 . . . . 0.0 109.153 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.92 -41.75 92.43 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.404 ' NE ' ' OD1' ' A' ' 19' ' ' ASP . 53.9 mtt-85 -60.55 -39.97 89.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.297 -0.877 . . . . 0.0 109.58 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.68 -39.99 90.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.154 -0.966 . . . . 0.0 109.401 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -60.06 -46.84 88.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.126 -0.984 . . . . 0.0 109.06 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.57 -40.1 88.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.191 -0.943 . . . . 0.0 109.269 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.3 -40.56 97.68 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.206 -0.934 . . . . 0.0 109.462 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -60.27 -40.28 89.79 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.328 -0.857 . . . . 0.0 109.694 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.91 -40.11 91.91 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.126 -0.984 . . . . 0.0 109.329 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.526 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 96.5 mt -61.92 -41.02 97.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.164 -0.96 . . . . 0.0 109.763 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.4 p -66.67 -40.05 88.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.092 -1.005 . . . . 0.0 109.676 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.59 -40.04 83.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.433 -0.792 . . . . 0.0 109.177 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -59.96 -43.91 94.76 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.204 -0.935 . . . . 0.0 109.724 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -47.75 89.49 Favored Glycine 0 N--CA 1.486 2.03 0 C-N-CA 119.273 -1.441 . . . . 0.0 109.829 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.04 -49.98 75.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.992 -1.299 . . . . 0.0 110.074 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.28 -40.02 94.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.111 -0.993 . . . . 0.0 109.752 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.615 HD22 HH21 ' A' ' 41' ' ' ARG . 54.6 t-20 -60.08 -40.58 90.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.291 -0.881 . . . . 0.0 109.784 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.29 -40.0 94.83 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.122 -0.986 . . . . 0.0 109.967 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.05 -41.68 92.86 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.042 -1.036 . . . . 0.0 109.394 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.56 ' HG1' ' N ' ' A' ' 41' ' ' ARG . 69.6 p -60.22 -40.04 88.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.957 -1.089 . . . . 0.0 108.858 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.615 HH21 HD22 ' A' ' 37' ' ' ASN . 34.0 mtt-85 -67.21 -39.98 86.36 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.03 -42.58 90.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.341 -0.849 . . . . 0.0 109.189 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.456 ' HG1' ' N ' ' A' ' 44' ' ' ALA . 69.8 p -60.01 -40.13 88.23 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.089 -1.007 . . . . 0.0 109.866 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.456 ' N ' ' HG1' ' A' ' 43' ' ' THR . . . -60.37 -42.51 95.97 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.098 -1.001 . . . . 0.0 108.486 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.5 mt -60.85 -39.44 81.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.696 -0.627 . . . . 0.0 109.683 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -60.06 -40.53 89.78 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.174 -0.954 . . . . 0.0 109.038 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -60.13 -46.48 89.5 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.486 -0.759 . . . . 0.0 109.675 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 61.5 m-85 -65.62 -38.18 88.71 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.19 -0.944 . . . . 0.0 109.816 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.92 -40.04 87.51 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.976 -1.078 . . . . 0.0 108.782 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -59.98 -40.02 87.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.85 -1.156 . . . . 0.0 107.98 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -59.9 -40.07 87.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.392 -0.817 . . . . 0.0 108.844 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.644 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.87 -40.06 87.39 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.086 -1.009 . . . . 0.0 109.015 179.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.644 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.01 -33.93 72.67 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.074 -1.016 . . . . 0.0 108.769 179.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.438 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 58.3 tt0 -59.13 -40.06 84.29 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.4 mt -77.19 116.83 18.15 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 70' ' ' VAL . 38.2 m-80 -131.67 -70.05 0.59 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.249 -0.907 . . . . 0.0 109.925 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.12 87.67 1.62 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 0.0 108.841 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.432 ' CD1' ' N ' ' A' ' 58' ' ' TRP . 35.4 m95 -101.29 125.68 47.95 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.682 -0.636 . . . . 0.0 109.653 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.507 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 112.72 -5.16 26.06 Favored Glycine 0 N--CA 1.501 2.985 0 O-C-N 121.215 -0.928 . . . . 0.0 112.491 177.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.56 25.6 0.25 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.061 -1.846 . . . . 0.0 108.88 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.533 ' O ' ' CE1' ' B' ' 62' ' ' PHE . . . -93.46 101.58 13.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.499 -0.751 . . . . 0.0 109.751 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.534 ' CE1' ' O ' ' C' ' 61' ' ' ALA . 13.3 m-85 -106.85 7.18 30.02 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.912 -1.118 . . . . 0.0 109.235 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -158.87 24.95 0.22 Allowed 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -143.28 151.2 40.27 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.446 -0.784 . . . . 0.0 109.954 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.6 t -110.8 57.6 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 177.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.39 159.85 44.05 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.747 -0.596 . . . . 0.0 109.699 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -120.81 133.79 55.31 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.64 -0.662 . . . . 0.0 109.223 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.2 t -94.86 119.8 34.02 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.222 -0.924 . . . . 0.0 110.117 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.4 t -112.37 121.47 44.95 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.533 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 47.0 t -119.43 97.51 50.19 Favored Pre-proline 0 N--CA 1.499 1.983 0 O-C-N 121.441 -0.787 . . . . 0.0 109.45 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -81.35 66.73 8.65 Favored 'Trans proline' 0 N--CA 1.49 1.271 0 C-N-CA 122.157 1.905 . . . . 0.0 112.184 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -69.2 129.44 91.95 Favored Pre-proline 0 N--CA 1.49 1.547 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -38.04 148.9 0.08 OUTLIER 'Trans proline' 0 N--CA 1.488 1.204 0 C-N-CA 121.507 1.471 . . . . 0.0 111.543 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.523 HD21 ' NE2' ' A' ' 52' ' ' GLN . 17.2 t-20 -128.28 -59.16 1.18 Allowed 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.06 125.19 34.44 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.8 p -80.24 109.98 15.23 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 118.854 -1.139 . . . . 0.0 108.229 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.3 mt -79.7 137.12 36.96 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.81 0.814 . . . . 0.0 110.075 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.2 t -87.68 114.75 60.39 Favored Pre-proline 0 N--CA 1.491 1.597 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -91.27 -47.42 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.133 0 C-N-CA 121.699 1.599 . . . . 0.0 114.058 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -121.61 -44.34 2.34 Favored 'General case' 0 N--CA 1.504 2.233 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -177.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.3 p90 -59.98 -50.13 74.96 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.321 -1.487 . . . . 0.0 112.418 -175.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.623 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.9 t30 -72.45 -43.44 63.75 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.151 -1.593 . . . . 0.0 110.368 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -60.0 -49.74 76.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.007 -1.058 . . . . 0.0 110.841 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.01 -42.21 94.65 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.697 -1.252 . . . . 0.0 109.746 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.6 p -70.05 -40.0 75.38 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.23 -0.919 . . . . 0.0 109.585 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.2 t-105 -67.94 -39.91 83.39 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.292 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -60.07 -40.39 89.36 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.664 -1.273 . . . . 0.0 108.238 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.02 -40.08 94.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.986 -1.071 . . . . 0.0 108.524 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.508 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 74.6 t90 -59.91 -49.84 76.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.513 -0.742 . . . . 0.0 110.109 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -64.56 -40.91 96.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.155 -0.966 . . . . 0.0 109.81 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -61.94 -42.18 98.82 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.967 -1.083 . . . . 0.0 110.377 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -60.05 -43.22 95.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.772 -1.205 . . . . 0.0 109.525 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.56 -42.3 91.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.267 -0.896 . . . . 0.0 109.42 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.2 -40.06 88.72 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.3 -0.875 . . . . 0.0 111.118 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -69.07 -40.0 78.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.791 -1.193 . . . . 0.0 109.39 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.49 -39.96 85.21 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.203 -0.936 . . . . 0.0 109.889 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.22 -40.03 86.35 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.789 -1.195 . . . . 0.0 109.851 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -68.15 -39.92 82.54 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.186 -0.946 . . . . 0.0 109.575 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -68.05 -40.04 82.88 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.37 -0.831 . . . . 0.0 109.741 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.16 -40.87 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.139 -0.976 . . . . 0.0 109.667 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.1 p -64.08 -40.54 96.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.038 -1.039 . . . . 0.0 109.361 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -49.15 78.7 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.301 -0.874 . . . . 0.0 109.735 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.09 -41.66 99.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.102 -0.999 . . . . 0.0 109.823 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.38 -41.28 96.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.091 -1.006 . . . . 0.0 109.618 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -64.59 -42.94 95.25 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.104 -0.998 . . . . 0.0 109.193 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.14 -40.46 96.22 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.41 -0.807 . . . . 0.0 109.755 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.24 95.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.32 -0.862 . . . . 0.0 109.687 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -59.92 -49.96 75.64 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.188 -0.945 . . . . 0.0 109.637 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.466 ' CG2' ' HZ1' ' A' ' 113' ' ' LYS . 89.3 mt -60.12 -47.12 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.307 -0.871 . . . . 0.0 109.245 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -69.46 -40.1 77.34 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.494 -0.754 . . . . 0.0 110.578 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -59.97 -45.95 91.03 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.952 -1.092 . . . . 0.0 109.679 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.87 -39.99 95.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.104 -0.997 . . . . 0.0 109.506 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . 0.466 ' HZ1' ' CG2' ' A' ' 109' ' ' ILE . 39.7 mttp -65.65 -40.01 92.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.239 -0.913 . . . . 0.0 109.83 179.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -60.06 -41.42 92.32 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.008 -1.057 . . . . 0.0 109.649 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' A' ' 115' ' ' MET . 12.4 tmm? -70.03 -40.56 75.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.972 -1.08 . . . . 0.0 109.137 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -62.02 -44.45 96.68 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.392 -0.817 . . . . 0.0 109.184 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.36 -39.96 89.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.369 -0.832 . . . . 0.0 109.202 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.01 -40.92 90.92 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.38 -39.86 95.67 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.374 -0.829 . . . . 0.0 109.626 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -59.51 -34.4 72.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.93 . . . . 0.0 109.58 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.6 mt -57.44 -48.87 78.02 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.077 -1.049 . . . . 0.0 108.5 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -143.71 65.83 1.3 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.145 -0.972 . . . . 0.0 109.88 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.037 179.357 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.43 144.52 51.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.335 -0.853 . . . . 0.0 109.309 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -90.46 59.57 4.36 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.235 -0.916 . . . . 0.0 109.649 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -63.7 -39.94 95.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.157 -0.964 . . . . 0.0 108.704 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 14.9 t -60.0 -42.81 95.06 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.36 -0.838 . . . . 0.0 109.777 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.413 ' N ' ' CG2' ' B' ' 5' ' ' THR . 64.0 tp -60.02 -41.47 92.25 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.77 -38.45 91.02 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.96 87.85 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.155 -0.965 . . . . 0.0 108.594 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.78 -45.23 59.13 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.419 HG22 HD11 ' B' ' 10' ' ' ILE . 93.3 mt -59.97 -48.38 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.32 -1.106 . . . . 0.0 109.788 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.95 -44.11 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.03 -1.044 . . . . 0.0 109.355 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -62.97 -39.98 96.32 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.299 -0.876 . . . . 0.0 110.028 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -60.02 -40.67 90.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.128 -0.983 . . . . 0.0 109.146 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -61.89 -40.31 94.96 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.134 -0.979 . . . . 0.0 109.373 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -59.96 -45.94 91.02 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.266 -0.896 . . . . 0.0 109.444 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.02 -43.77 95.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.42 -0.8 . . . . 0.0 109.516 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.71 -42.62 97.61 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.187 -0.946 . . . . 0.0 109.018 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 46.1 tp -60.49 -43.64 96.81 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.417 -0.802 . . . . 0.0 108.952 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -60.02 -47.42 85.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.264 -0.898 . . . . 0.0 109.873 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.01 -41.76 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.999 -1.063 . . . . 0.0 109.021 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -46.01 94.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.428 -0.795 . . . . 0.0 109.091 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.06 -41.76 93.03 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.402 HH11 ' HG2' ' B' ' 23' ' ' ARG . 53.7 mtt-85 -60.49 -39.98 89.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -0.85 . . . . 0.0 109.545 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.67 -40.0 90.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.185 -0.947 . . . . 0.0 109.444 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -59.95 -46.63 88.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.108 -0.995 . . . . 0.0 109.233 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.81 -39.99 87.92 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.142 -0.974 . . . . 0.0 109.342 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.43 -40.19 96.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.311 -0.868 . . . . 0.0 109.474 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 mt -60.56 -40.5 91.83 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.402 -0.811 . . . . 0.0 109.616 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.74 -40.18 91.43 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.094 -1.004 . . . . 0.0 109.354 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.515 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 97.2 mt -61.88 -40.99 97.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.227 -0.921 . . . . 0.0 109.712 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.8 p -66.84 -40.06 87.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.148 -0.97 . . . . 0.0 109.679 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -60.5 -40.1 83.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.309 -0.869 . . . . 0.0 109.076 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -59.98 -43.95 94.8 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.243 -0.91 . . . . 0.0 109.724 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -47.51 90.68 Favored Glycine 0 N--CA 1.488 2.137 0 C-N-CA 119.364 -1.398 . . . . 0.0 109.832 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.17 -50.02 75.32 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.021 -1.282 . . . . 0.0 110.158 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.27 -39.98 94.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.015 -1.053 . . . . 0.0 109.689 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.599 HD22 HH21 ' B' ' 41' ' ' ARG . 54.5 t-20 -60.07 -40.87 91.0 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.272 -0.892 . . . . 0.0 109.685 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 85.7 mt -62.17 -39.86 94.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.087 -1.008 . . . . 0.0 110.0 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.04 -41.59 92.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.057 -1.027 . . . . 0.0 109.46 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.561 ' HG1' ' N ' ' B' ' 41' ' ' ARG . 69.3 p -60.2 -40.16 89.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.977 -1.077 . . . . 0.0 108.859 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.599 HH21 HD22 ' B' ' 37' ' ' ASN . 34.4 mtt-85 -67.1 -40.1 86.84 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -42.67 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.3 -0.875 . . . . 0.0 109.131 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.445 ' HG1' ' N ' ' B' ' 44' ' ' ALA . 70.6 p -60.05 -40.29 88.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.068 -1.02 . . . . 0.0 109.763 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . 0.445 ' N ' ' HG1' ' B' ' 43' ' ' THR . . . -60.27 -42.29 95.07 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.114 -0.991 . . . . 0.0 108.575 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.05 -39.39 82.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.774 -0.579 . . . . 0.0 109.67 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.98 -40.71 90.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.138 -0.976 . . . . 0.0 108.988 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.06 -46.9 88.02 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.414 -0.803 . . . . 0.0 109.602 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.505 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 61.4 m-85 -65.12 -38.33 90.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.261 -0.9 . . . . 0.0 109.887 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 49.1 mt -59.96 -40.02 87.6 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.846 -1.159 . . . . 0.0 108.842 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -60.06 -39.93 87.72 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.654 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -59.96 -40.02 87.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.153 -0.967 . . . . 0.0 108.941 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.654 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -60.04 -33.93 72.69 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.99 -1.069 . . . . 0.0 108.823 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.435 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 58.4 tt0 -59.14 -40.04 84.25 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 78.0 mt -77.18 116.83 18.14 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' B' ' 70' ' ' VAL . 37.2 m-80 -131.71 -69.99 0.59 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.236 -0.915 . . . . 0.0 109.888 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.22 87.89 1.62 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.259 -0.9 . . . . 0.0 108.953 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' TRP . . . . . 0.429 ' CD1' ' N ' ' B' ' 58' ' ' TRP . 35.5 m95 -101.67 125.75 48.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.776 -0.578 . . . . 0.0 109.608 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 112.63 -5.04 26.2 Favored Glycine 0 N--CA 1.501 2.981 0 O-C-N 121.307 -0.871 . . . . 0.0 112.454 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.36 25.32 0.24 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.049 -1.853 . . . . 0.0 108.989 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.545 ' O ' ' CE1' ' C' ' 62' ' ' PHE . . . -93.26 101.76 14.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.506 -0.746 . . . . 0.0 109.819 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 13.3 m-85 -107.06 7.28 29.65 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.889 -1.132 . . . . 0.0 109.238 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -158.89 24.84 0.21 Allowed 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -143.11 151.53 40.83 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.413 -0.805 . . . . 0.0 109.927 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.6 t -110.98 57.73 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 177.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.48 160.02 43.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.725 -0.609 . . . . 0.0 109.579 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -121.02 133.79 55.27 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 8.1 t -94.81 119.75 33.91 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.201 -0.937 . . . . 0.0 110.015 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 9.6 t -112.33 121.67 45.54 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.543 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 47.1 t -119.44 97.65 50.17 Favored Pre-proline 0 N--CA 1.501 2.083 0 O-C-N 121.466 -0.771 . . . . 0.0 109.493 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -81.58 66.84 8.53 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 122.126 1.884 . . . . 0.0 112.054 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.422 ' O ' ' C ' ' B' ' 73' ' ' PRO . 19.7 t90 -69.3 129.49 91.78 Favored Pre-proline 0 N--CA 1.49 1.571 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' B' ' 72' ' ' TRP . 68.1 Cg_exo -38.11 149.01 0.08 OUTLIER 'Trans proline' 0 N--CA 1.487 1.138 0 C-N-CA 121.469 1.446 . . . . 0.0 111.562 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 17.3 t-20 -128.36 -59.4 1.16 Allowed 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.7 125.47 34.42 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 17.8 p -80.4 110.02 15.46 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.848 -1.157 . . . . 0.0 108.056 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.6 mt -79.72 137.21 36.97 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-O 121.797 0.808 . . . . 0.0 109.937 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 5.2 t -87.51 115.02 61.48 Favored Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -91.25 -47.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.111 0 C-N-CA 121.755 1.637 . . . . 0.0 114.08 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -121.62 -44.18 2.35 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.2 p90 -59.94 -50.05 75.28 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.21 -1.556 . . . . 0.0 112.503 -175.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.623 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.7 t30 -72.49 -43.53 63.51 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.156 -1.59 . . . . 0.0 110.349 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -59.92 -49.79 76.32 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.08 -1.012 . . . . 0.0 110.836 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.01 -42.01 94.85 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.729 -1.232 . . . . 0.0 109.781 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 73.7 p -70.2 -40.03 74.82 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.29 -0.881 . . . . 0.0 109.556 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -67.83 -39.98 83.8 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 119.065 -1.054 . . . . 0.0 109.314 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -59.95 -40.39 88.82 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.617 -1.302 . . . . 0.0 108.343 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -65.18 -40.09 93.78 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.982 -1.074 . . . . 0.0 108.439 178.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.526 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 74.4 t90 -59.9 -50.06 75.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.512 -0.743 . . . . 0.0 110.043 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.35 -40.73 96.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.026 -1.046 . . . . 0.0 109.863 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 54.2 mtt-85 -62.04 -42.06 98.77 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.963 -1.086 . . . . 0.0 110.352 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -60.08 -42.88 95.56 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.854 -1.154 . . . . 0.0 109.542 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.14 -41.85 90.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.344 -0.848 . . . . 0.0 109.361 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.5 -40.16 90.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.301 -0.874 . . . . 0.0 110.987 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -68.93 -39.95 79.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.726 -1.234 . . . . 0.0 109.417 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.54 -39.96 84.99 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.149 -0.97 . . . . 0.0 109.99 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.23 -39.99 86.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.891 -1.131 . . . . 0.0 109.774 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.2 -39.94 82.29 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.226 -0.921 . . . . 0.0 109.554 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -68.21 -39.91 82.25 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.335 -0.853 . . . . 0.0 109.792 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 85.6 mt -66.16 -40.93 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.063 -1.023 . . . . 0.0 109.635 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 40.7 p -63.85 -40.78 97.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.914 -1.116 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.35 -49.17 78.65 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.354 -0.841 . . . . 0.0 109.829 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.26 -41.51 99.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.127 -0.983 . . . . 0.0 109.814 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.4 mt -61.48 -41.03 96.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.037 -1.039 . . . . 0.0 109.571 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -64.93 -42.48 94.65 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.146 -0.971 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.61 -40.36 95.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.404 -0.81 . . . . 0.0 109.742 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.4 96.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.309 -0.87 . . . . 0.0 109.59 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -59.94 -49.95 75.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.147 -0.971 . . . . 0.0 109.654 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.454 ' CG2' ' HZ1' ' B' ' 113' ' ' LYS . 88.2 mt -60.05 -47.21 92.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 O-C-N 121.323 -0.861 . . . . 0.0 109.248 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -69.42 -39.98 77.54 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.558 -0.714 . . . . 0.0 110.597 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -59.98 -46.02 90.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.922 -1.111 . . . . 0.0 109.645 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.83 -40.1 95.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 109.453 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . 0.454 ' HZ1' ' CG2' ' B' ' 109' ' ' ILE . 39.9 mttp -65.66 -40.02 92.0 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.105 -0.997 . . . . 0.0 109.776 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -60.01 -41.35 91.94 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.041 -1.037 . . . . 0.0 109.7 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 115' ' ' MET . . . . . 0.431 ' C ' ' SD ' ' B' ' 115' ' ' MET . 12.4 tmm? -70.12 -40.79 74.64 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.989 -1.069 . . . . 0.0 109.047 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -61.77 -44.49 96.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.308 -0.87 . . . . 0.0 109.293 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.27 -39.93 88.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.348 -0.845 . . . . 0.0 109.152 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 13.5 tp -60.05 -40.89 90.97 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.7 mt-30 -63.41 -39.86 95.63 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.459 -0.776 . . . . 0.0 109.642 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -59.46 -34.32 72.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 0.0 109.589 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.51 -48.95 77.87 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.925 -1.109 . . . . 0.0 108.438 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -143.64 65.79 1.31 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.189 -0.944 . . . . 0.0 109.912 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.403 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.7 t . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.12 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . 0.413 ' H1 ' ' H ' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . 0.413 ' H ' ' H1 ' ' C' ' 1' ' ' ALA . 98.4 mm-40 -70.43 144.43 51.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.269 -0.894 . . . . 0.0 109.282 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -90.33 59.42 4.37 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.258 -0.901 . . . . 0.0 109.646 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -63.54 -39.89 95.58 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.236 -0.915 . . . . 0.0 108.736 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.409 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 14.9 t -60.09 -42.77 95.37 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.337 -0.852 . . . . 0.0 109.824 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.409 ' N ' ' CG2' ' C' ' 5' ' ' THR . 64.3 tp -59.99 -41.78 92.77 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.44 -38.58 91.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.767 -0.583 . . . . 0.0 109.495 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.081 -1.012 . . . . 0.0 108.6 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.71 -45.28 59.34 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.412 HD11 HG22 ' C' ' 10' ' ' ILE . 93.3 mt -60.05 -48.41 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -1.112 . . . . 0.0 109.86 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.99 -43.72 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.001 -1.062 . . . . 0.0 109.428 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.23 -40.05 96.36 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.242 -0.911 . . . . 0.0 109.839 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -59.98 -40.73 90.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 0.0 109.103 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -61.83 -40.29 94.76 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.005 -1.059 . . . . 0.0 109.384 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -60.0 -45.93 91.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.234 -0.916 . . . . 0.0 109.392 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -60.03 -43.36 95.37 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.253 -0.905 . . . . 0.0 109.644 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.05 -42.3 98.22 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.304 -0.872 . . . . 0.0 109.101 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 46.3 tp -60.81 -43.54 98.07 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.355 -0.841 . . . . 0.0 108.953 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -59.98 -47.77 84.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.235 -0.915 . . . . 0.0 109.718 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.46 -41.96 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.032 -1.042 . . . . 0.0 109.123 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.97 -46.02 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.44 -0.787 . . . . 0.0 109.059 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.05 -41.65 92.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.462 -0.774 . . . . 0.0 109.104 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.409 ' HG2' HH11 ' C' ' 23' ' ' ARG . 53.6 mtt-85 -60.43 -40.05 89.65 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.285 -0.884 . . . . 0.0 109.512 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.82 -39.9 90.71 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.112 -0.993 . . . . 0.0 109.441 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -60.15 -46.74 88.63 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.17 -0.956 . . . . 0.0 109.101 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.59 -40.07 88.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.206 -0.934 . . . . 0.0 109.416 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 29.8 tp -63.45 -40.17 96.43 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.356 -0.84 . . . . 0.0 109.455 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.39 -40.57 91.37 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.412 -0.805 . . . . 0.0 109.586 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.84 -39.98 91.11 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.122 -0.986 . . . . 0.0 109.398 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.508 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 97.3 mt -62.02 -40.76 96.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.752 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.0 p -67.0 -40.01 87.25 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.103 -0.998 . . . . 0.0 109.643 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 56.7 t -60.54 -40.03 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.334 -0.854 . . . . 0.0 109.181 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -59.97 -43.91 94.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.265 -0.897 . . . . 0.0 109.753 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.68 89.86 Favored Glycine 0 N--CA 1.487 2.052 0 C-N-CA 119.343 -1.408 . . . . 0.0 109.818 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -50.01 75.43 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.995 -1.297 . . . . 0.0 110.08 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.32 -39.97 94.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.073 -1.017 . . . . 0.0 109.779 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.616 HD22 HH21 ' C' ' 41' ' ' ARG . 53.6 t-20 -60.01 -40.84 90.67 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.296 -0.877 . . . . 0.0 109.69 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.09 -40.02 94.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.049 -1.032 . . . . 0.0 109.955 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -59.99 -41.79 92.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.057 -1.027 . . . . 0.0 109.48 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.56 ' HG1' ' N ' ' C' ' 41' ' ' ARG . 71.8 p -60.1 -40.03 88.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.01 -1.056 . . . . 0.0 108.837 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.616 HH21 HD22 ' C' ' 37' ' ' ASN . 34.3 mtt-85 -67.17 -39.99 86.53 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.03 -42.74 90.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.28 -0.887 . . . . 0.0 109.078 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.45 ' HG1' ' N ' ' C' ' 44' ' ' ALA . 70.7 p -60.02 -40.09 88.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.075 -1.016 . . . . 0.0 109.826 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . 0.45 ' N ' ' HG1' ' C' ' 43' ' ' THR . . . -60.33 -42.35 95.44 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.137 -0.977 . . . . 0.0 108.511 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 95.6 mt -61.09 -39.24 81.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.711 -0.618 . . . . 0.0 109.759 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -60.06 -40.51 89.73 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.222 -0.924 . . . . 0.0 108.983 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.31 -46.66 89.08 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.427 -0.796 . . . . 0.0 109.639 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 61.0 m-85 -65.25 -38.37 90.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.257 -0.902 . . . . 0.0 109.701 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 48.0 mt -60.0 -40.05 87.86 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.936 -1.103 . . . . 0.0 108.809 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -59.99 -39.92 87.39 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.646 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.94 -40.03 87.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.194 -0.941 . . . . 0.0 109.065 179.768 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . 0.646 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -59.94 -33.93 72.57 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.066 -1.021 . . . . 0.0 108.79 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . 0.435 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 58.3 tt0 -59.21 -39.99 84.39 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 81.3 mt -77.19 116.75 18.09 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . 0.54 ' ND2' ' O ' ' C' ' 70' ' ' VAL . 38.6 m-80 -131.62 -69.93 0.6 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.138 -0.976 . . . . 0.0 109.917 -179.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.22 87.84 1.62 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.377 -0.827 . . . . 0.0 108.795 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 58' ' ' TRP . . . . . 0.427 ' CD1' ' N ' ' C' ' 58' ' ' TRP . 35.3 m95 -101.6 125.46 48.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.778 -0.576 . . . . 0.0 109.703 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 112.64 -4.51 26.19 Favored Glycine 0 N--CA 1.5 2.901 0 O-C-N 121.287 -0.883 . . . . 0.0 112.436 177.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.73 25.49 0.26 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.051 -1.852 . . . . 0.0 108.866 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 61' ' ' ALA . . . . . 0.534 ' O ' ' CE1' ' A' ' 62' ' ' PHE . . . -93.5 101.92 14.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.477 -0.764 . . . . 0.0 109.827 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 62' ' ' PHE . . . . . 0.545 ' CE1' ' O ' ' B' ' 61' ' ' ALA . 13.2 m-85 -107.12 7.33 29.56 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.954 -1.092 . . . . 0.0 109.329 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -158.93 24.82 0.21 Allowed 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -143.26 151.44 40.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.517 -0.739 . . . . 0.0 109.849 -178.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 t -110.94 57.7 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 177.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.51 159.95 43.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.755 -0.591 . . . . 0.0 109.611 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -120.88 134.01 55.3 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 8.2 t -94.98 119.87 34.23 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.213 -0.93 . . . . 0.0 110.048 -178.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 9.2 t -112.47 121.61 45.33 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.54 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 46.5 t -119.56 97.43 50.01 Favored Pre-proline 0 N--CA 1.499 1.991 0 O-C-N 121.493 -0.754 . . . . 0.0 109.5 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -81.38 66.86 8.62 Favored 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.227 1.951 . . . . 0.0 112.049 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.425 ' O ' ' C ' ' C' ' 73' ' ' PRO . 20.3 t90 -69.54 129.45 91.47 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' C' ' 72' ' ' TRP . 66.9 Cg_exo -38.03 148.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 121.494 1.463 . . . . 0.0 111.59 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.509 HD21 ' NE2' ' C' ' 52' ' ' GLN . 17.1 t-20 -128.23 -58.91 1.19 Allowed 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.2 125.39 34.6 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 16.8 p -80.44 109.97 15.44 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.841 -1.162 . . . . 0.0 108.153 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 35.2 mt -79.67 137.04 36.95 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.844 0.83 . . . . 0.0 110.044 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 5.2 t -87.49 114.77 60.32 Favored Pre-proline 0 C--N 1.298 -1.642 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -91.25 -47.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 121.722 1.615 . . . . 0.0 114.094 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -121.78 -44.36 2.32 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.308 -0.87 . . . . 0.0 113.332 -176.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.614 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.2 p90 -60.02 -49.93 75.74 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.246 -1.534 . . . . 0.0 112.473 -175.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.614 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.9 t30 -72.55 -43.41 63.51 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.224 -1.548 . . . . 0.0 110.358 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -60.0 -49.67 76.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.068 -1.02 . . . . 0.0 110.884 -178.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.04 -42.1 94.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.726 -1.234 . . . . 0.0 109.816 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 75.8 p -70.05 -39.99 75.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.319 -0.863 . . . . 0.0 109.621 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -68.05 -39.94 82.92 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.255 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -59.99 -40.45 89.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.757 -1.214 . . . . 0.0 108.253 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.03 -40.04 94.25 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.953 -1.092 . . . . 0.0 108.458 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.515 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 74.6 t90 -60.02 -49.96 75.62 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.541 -0.724 . . . . 0.0 110.034 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.42 -40.82 96.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.084 -1.01 . . . . 0.0 109.896 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -62.02 -41.99 98.69 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.016 -1.053 . . . . 0.0 110.396 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -60.09 -43.14 95.74 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.864 -1.147 . . . . 0.0 109.485 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.8 -42.12 91.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.446 -0.784 . . . . 0.0 109.426 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.34 -40.07 89.35 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.311 -0.868 . . . . 0.0 110.971 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -69.02 -39.98 78.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.738 -1.226 . . . . 0.0 109.449 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.47 -40.12 85.29 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.193 -0.942 . . . . 0.0 110.019 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.04 -39.91 87.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.818 -1.176 . . . . 0.0 109.864 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.31 -40.08 81.82 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.211 -0.931 . . . . 0.0 109.534 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -67.87 -40.02 83.66 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.343 -0.848 . . . . 0.0 109.742 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.16 -41.23 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.09 -1.006 . . . . 0.0 109.567 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.9 p -63.74 -40.64 97.22 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.919 -1.113 . . . . 0.0 109.369 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.61 -49.13 78.75 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.318 -0.864 . . . . 0.0 109.794 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.12 -41.74 99.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.179 -0.95 . . . . 0.0 109.733 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.3 -41.41 96.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.001 -1.062 . . . . 0.0 109.592 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -64.25 -43.16 95.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.063 -1.023 . . . . 0.0 109.286 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.8 -40.94 97.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.409 -0.807 . . . . 0.0 109.797 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.28 95.0 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.291 -0.881 . . . . 0.0 109.765 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -60.0 -49.88 75.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.079 -1.013 . . . . 0.0 109.603 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . 0.462 ' CG2' ' HZ1' ' C' ' 113' ' ' LYS . 89.3 mt -60.2 -47.02 93.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.256 -0.902 . . . . 0.0 109.253 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -69.54 -40.03 77.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.475 -0.765 . . . . 0.0 110.599 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -60.01 -45.86 91.38 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.977 -1.077 . . . . 0.0 109.664 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.99 -40.03 95.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.136 -0.978 . . . . 0.0 109.479 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . 0.462 ' HZ1' ' CG2' ' C' ' 109' ' ' ILE . 39.6 mttp -65.75 -39.95 91.6 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.129 -0.982 . . . . 0.0 109.801 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -60.04 -41.29 91.96 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.937 -1.102 . . . . 0.0 109.736 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 115' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' C' ' 115' ' ' MET . 12.4 tmm? -70.04 -40.93 74.84 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.937 -1.102 . . . . 0.0 109.166 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -61.7 -44.49 96.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.388 -0.82 . . . . 0.0 109.182 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.24 -40.07 88.96 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.355 -0.841 . . . . 0.0 109.143 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 13.5 tp -59.99 -40.89 90.7 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.8 mt-30 -63.31 -39.84 95.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.509 -0.744 . . . . 0.0 109.669 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -60.09 -33.31 71.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.218 -0.926 . . . . 0.0 109.7 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 88.3 mt -58.1 -48.88 78.84 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.887 -1.133 . . . . 0.0 108.451 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -143.65 65.78 1.31 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.172 -0.955 . . . . 0.0 109.879 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.405 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.7 t . . . . . 0 N--CA 1.495 1.777 0 O-C-N 121.15 -0.969 . . . . 0.0 109.124 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 121.506 0.67 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.505 ' N ' ' OE1' ' A' ' 2' ' ' GLN . 1.0 OUTLIER -78.5 144.99 35.2 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.365 -0.834 . . . . 0.0 109.293 179.872 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 p -89.09 60.0 5.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.168 -0.957 . . . . 0.0 108.812 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.03 -39.94 94.02 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.458 -0.776 . . . . 0.0 108.985 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -42.47 96.11 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.213 -0.929 . . . . 0.0 109.12 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.25 -43.02 99.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.131 -0.981 . . . . 0.0 108.745 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.0 mt -60.25 -39.87 88.29 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.642 -0.662 . . . . 0.0 110.196 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.05 85.75 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.014 -1.054 . . . . 0.0 108.556 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.36 -45.94 44.59 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.414 HG22 HD11 ' A' ' 10' ' ' ILE . 96.7 mt -60.04 -47.59 91.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.082 -1.246 . . . . 0.0 109.903 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.06 -41.66 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.124 -0.985 . . . . 0.0 108.47 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.94 -40.05 91.8 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -60.22 -45.34 93.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.476 -0.765 . . . . 0.0 109.739 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -60.33 -41.38 93.46 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.405 -0.81 . . . . 0.0 109.303 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.02 -46.85 88.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.223 -0.923 . . . . 0.0 109.476 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.32 -41.22 96.66 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.251 -0.906 . . . . 0.0 109.879 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.77 -41.48 97.76 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.09 -1.007 . . . . 0.0 108.638 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.37 -43.15 96.83 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.31 -49.99 75.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.481 -0.762 . . . . 0.0 109.803 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.31 -41.78 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 121.1 -1.0 . . . . 0.0 109.416 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.96 -43.85 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.168 -0.957 . . . . 0.0 109.129 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -60.71 -41.25 94.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.496 -0.753 . . . . 0.0 109.008 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.8 mtt-85 -61.32 -40.07 92.87 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.401 -0.812 . . . . 0.0 109.83 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.67 -39.92 90.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.949 -1.094 . . . . 0.0 109.412 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -60.2 -42.37 94.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.164 -0.96 . . . . 0.0 109.016 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -68.27 -40.44 81.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.269 -0.894 . . . . 0.0 109.068 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.9 tp -63.59 -40.56 97.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.527 -0.733 . . . . 0.0 109.53 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 mt -60.13 -40.4 89.64 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.302 -0.873 . . . . 0.0 109.628 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.23 -40.68 94.92 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.144 -0.972 . . . . 0.0 109.667 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.53 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 88.1 mt -62.78 -39.97 95.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 0.0 109.276 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.7 p -66.19 -40.2 90.26 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.052 -1.03 . . . . 0.0 109.55 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.49 -40.0 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.19 -0.944 . . . . 0.0 109.014 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -60.24 -44.19 95.44 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.471 -0.768 . . . . 0.0 110.24 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -47.37 91.32 Favored Glycine 0 N--CA 1.49 2.254 0 C-N-CA 119.558 -1.306 . . . . 0.0 109.908 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.26 -50.04 75.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.051 -1.264 . . . . 0.0 109.941 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -60.31 -39.95 88.84 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.153 -0.967 . . . . 0.0 109.696 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.412 ' O ' ' OG1' ' A' ' 40' ' ' THR . 54.4 t-20 -59.98 -40.08 87.88 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.238 -0.914 . . . . 0.0 109.093 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.94 -40.24 88.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.067 -1.021 . . . . 0.0 109.425 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -59.89 -40.25 88.12 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.315 -0.866 . . . . 0.0 109.681 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 37' ' ' ASN . 60.0 p -60.03 -42.79 95.13 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.072 -1.017 . . . . 0.0 108.622 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.6 HH21 ' CG ' ' B' ' 82' ' ' ASN . 60.3 mtt-85 -64.31 -39.92 94.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 0.0 109.188 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -45.29 95.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 C-N-CA 119.379 -0.928 . . . . 0.0 108.855 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.5 p -60.19 -42.2 94.54 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.898 -1.126 . . . . 0.0 109.905 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.5 95.97 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.213 -0.929 . . . . 0.0 108.913 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.9 mt -60.04 -39.08 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.697 -0.627 . . . . 0.0 109.456 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.8 -40.57 88.77 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.113 -0.992 . . . . 0.0 109.413 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.79 -41.13 99.12 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.844 -1.16 . . . . 0.0 108.926 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 51.4 m-85 -67.17 -39.56 86.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.523 -0.735 . . . . 0.0 109.77 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.04 -39.98 87.81 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.794 -1.191 . . . . 0.0 108.726 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.84 -39.7 86.01 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.973 -1.079 . . . . 0.0 109.081 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.73 -39.77 85.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.232 -0.918 . . . . 0.0 108.876 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.495 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.9 OUTLIER -59.83 -40.0 87.02 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.005 -1.059 . . . . 0.0 109.328 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.42 85.55 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 120.672 -1.267 . . . . 0.0 108.254 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.89 -39.85 86.73 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.334 -0.854 . . . . 0.0 108.768 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.9 mt -69.31 117.77 11.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.152 -0.967 . . . . 0.0 108.751 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.661 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 71.3 m-80 -134.69 -69.4 0.52 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.257 -0.902 . . . . 0.0 110.549 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.27 116.82 5.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.202 -0.937 . . . . 0.0 109.538 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -100.35 129.93 46.39 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.401 -0.812 . . . . 0.0 110.436 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 61.49 25.3 64.96 Favored Glycine 0 N--CA 1.49 2.283 0 C-N-CA 120.021 -1.085 . . . . 0.0 110.434 178.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -76.12 23.7 0.14 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.859 -1.377 . . . . 0.0 109.492 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.467 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.71 99.84 1.27 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.986 -1.071 . . . . 0.0 110.426 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -108.46 11.79 26.64 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.195 -0.941 . . . . 0.0 109.555 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.482 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 22.4 mmm180 -133.59 23.15 3.99 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 177.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.539 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -150.57 153.11 35.17 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.269 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -101.22 60.33 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.102 -0.999 . . . . 0.0 108.525 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.98 157.4 43.11 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.526 -0.734 . . . . 0.0 109.363 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -129.6 132.21 46.71 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.89 112.24 24.13 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.908 -1.12 . . . . 0.0 109.349 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.61 121.47 44.27 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.661 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 57.3 t -123.8 83.3 54.57 Favored Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 121.417 -0.802 . . . . 0.0 110.174 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -86.73 62.54 4.5 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.909 2.406 . . . . 0.0 110.873 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' PRO . 22.2 t90 -69.19 132.55 89.96 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.408 ' C ' ' O ' ' A' ' 72' ' ' TRP . 78.1 Cg_exo -38.59 149.04 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 121.75 1.633 . . . . 0.0 110.889 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.53 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 38.1 t-20 -127.56 -53.99 1.35 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.242 -0.911 . . . . 0.0 110.175 -178.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.11 126.88 38.43 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.492 -0.755 . . . . 0.0 109.607 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.0 t -81.95 109.69 16.54 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -83.75 136.23 34.24 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.731 0.777 . . . . 0.0 110.478 -177.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 78' ' ' THR . 9.2 t -94.93 110.77 51.66 Favored Pre-proline 0 N--CA 1.493 1.684 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -90.58 -49.53 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.375 0 C-N-CA 121.787 1.658 . . . . 0.0 115.596 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -122.12 -43.05 2.34 Favored 'General case' 0 N--CA 1.507 2.41 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.645 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.8 p90 -59.57 -49.59 77.18 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.433 -1.417 . . . . 0.0 112.089 -175.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.645 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 63.7 t30 -71.09 -40.29 71.62 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.252 -1.53 . . . . 0.0 111.009 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.89 -50.13 74.98 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.067 -1.021 . . . . 0.0 110.657 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.84 -47.13 87.77 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.882 -1.137 . . . . 0.0 109.325 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.7 p -68.27 -39.93 82.01 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.481 -0.762 . . . . 0.0 110.199 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -66.89 -40.18 87.67 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.017 -1.052 . . . . 0.0 109.098 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -59.89 -40.59 89.25 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 118.677 -1.209 . . . . 0.0 108.553 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.96 -40.48 93.53 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.157 -0.965 . . . . 0.0 108.864 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.503 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 65.2 t90 -60.47 -49.64 76.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.302 -0.874 . . . . 0.0 109.353 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -63.12 -42.54 99.54 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.216 -0.927 . . . . 0.0 109.318 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -62.09 -43.25 99.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.151 -0.968 . . . . 0.0 110.498 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -60.35 -41.8 94.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.974 -1.079 . . . . 0.0 109.037 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.77 -40.11 87.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.339 -0.851 . . . . 0.0 109.381 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.96 -39.98 94.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.145 -0.972 . . . . 0.0 110.745 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -70.05 -40.04 75.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.729 -1.232 . . . . 0.0 109.63 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.63 -41.07 88.91 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.103 -0.998 . . . . 0.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.21 -48.57 81.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.273 -0.892 . . . . 0.0 109.06 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.34 -42.93 99.5 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.557 -0.714 . . . . 0.0 109.743 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -64.39 -40.18 95.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.223 -0.923 . . . . 0.0 109.867 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.7 mt -67.79 -40.09 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.081 -1.012 . . . . 0.0 109.709 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 43.5 p -63.43 -40.32 96.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.941 -1.1 . . . . 0.0 109.481 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.77 -50.1 74.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.314 -0.866 . . . . 0.0 110.097 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 99.1 mt -61.44 -41.76 97.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.105 -0.997 . . . . 0.0 109.708 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.69 -43.8 97.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.157 -0.964 . . . . 0.0 109.256 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.96 -47.79 84.37 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.183 -0.948 . . . . 0.0 109.422 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.84 -40.2 94.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.053 -1.029 . . . . 0.0 109.475 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.03 -45.58 94.21 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.3 -0.875 . . . . 0.0 109.611 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.15 -48.28 82.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -0.943 . . . . 0.0 109.316 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.17 -48.78 86.7 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.286 -0.884 . . . . 0.0 108.682 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -67.68 -39.98 84.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.28 -0.888 . . . . 0.0 110.588 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -60.35 -50.01 75.33 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.991 -1.068 . . . . 0.0 109.912 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.05 -41.37 99.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.174 -0.954 . . . . 0.0 109.007 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -61.54 -42.41 98.78 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.348 -0.845 . . . . 0.0 110.113 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -62.22 -40.92 97.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.803 -1.186 . . . . 0.0 109.216 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.14 -40.77 78.04 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.268 -0.895 . . . . 0.0 108.588 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -60.02 -47.66 84.92 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.362 -0.836 . . . . 0.0 108.768 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.12 -40.09 92.46 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.29 -0.881 . . . . 0.0 109.098 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.41 -41.69 94.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.521 -0.737 . . . . 0.0 109.732 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.3 mt-30 -60.3 -40.68 91.36 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.027 -1.046 . . . . 0.0 109.596 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -60.76 -39.81 90.14 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.117 -0.989 . . . . 0.0 109.423 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.49 -49.37 78.04 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -116.23 59.12 0.74 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.428 -0.795 . . . . 0.0 109.139 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 119' ' ' GLN . 3.1 t . . . . . 0 N--CA 1.494 1.759 0 O-C-N 120.956 -1.09 . . . . 0.0 109.323 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' B' ' 2' ' ' GLN . 1.0 OUTLIER -78.81 145.0 34.54 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.481 -0.762 . . . . 0.0 109.316 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 37.8 p -88.84 59.73 5.19 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.2 -0.938 . . . . 0.0 108.972 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.0 -39.95 94.0 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.32 -0.863 . . . . 0.0 109.232 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -42.72 95.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.122 -0.986 . . . . 0.0 109.072 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.14 -43.14 99.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.095 -1.003 . . . . 0.0 108.635 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 41.2 mt -60.3 -39.98 88.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.678 -0.638 . . . . 0.0 110.104 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.11 -40.23 84.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.995 -1.065 . . . . 0.0 108.397 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.23 -45.81 46.52 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . 0.416 HG22 HD11 ' B' ' 10' ' ' ILE . 96.6 mt -60.24 -47.89 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.288 -1.125 . . . . 0.0 109.935 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.16 -41.16 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.132 -0.98 . . . . 0.0 108.457 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -61.09 -40.03 92.18 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -60.01 -45.47 92.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.456 -0.778 . . . . 0.0 109.884 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -60.48 -41.65 94.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.443 -0.786 . . . . 0.0 109.251 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -60.2 -46.76 88.62 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -0.891 . . . . 0.0 109.205 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.72 -41.52 95.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.209 -0.932 . . . . 0.0 109.952 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.0 -41.37 97.97 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.973 -1.079 . . . . 0.0 108.606 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.3 -43.46 96.28 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.96 -50.19 74.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.506 -0.746 . . . . 0.0 109.812 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 83.2 t -59.99 -41.54 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.157 -0.964 . . . . 0.0 109.386 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.13 -44.01 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.275 -0.891 . . . . 0.0 109.13 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -60.67 -41.37 94.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.516 -0.74 . . . . 0.0 109.184 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.404 ' HG2' HH11 ' B' ' 23' ' ' ARG . 55.9 mtt-85 -61.19 -39.92 92.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.414 -0.804 . . . . 0.0 109.894 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.44 -40.18 90.21 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.036 -1.04 . . . . 0.0 109.45 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.37 -42.14 95.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.865 . . . . 0.0 109.063 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.27 -40.14 81.96 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.318 -0.864 . . . . 0.0 109.008 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -64.2 -40.35 95.89 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.445 -0.784 . . . . 0.0 109.431 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt -60.2 -40.3 89.59 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.324 -0.86 . . . . 0.0 109.688 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.52 -41.06 96.75 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.109 -0.994 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.533 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 87.7 mt -62.23 -40.04 94.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.103 -0.998 . . . . 0.0 109.402 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 73.0 p -66.49 -40.09 89.1 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.226 -0.921 . . . . 0.0 109.467 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.51 -40.37 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.148 -0.97 . . . . 0.0 108.861 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -60.01 -43.94 94.92 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.383 -0.823 . . . . 0.0 110.32 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -47.45 90.93 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.25 -49.97 75.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.148 -1.207 . . . . 0.0 109.973 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -60.61 -39.85 89.7 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.194 -0.941 . . . . 0.0 109.522 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.411 ' O ' ' OG1' ' B' ' 40' ' ' THR . 54.9 t-20 -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.22 -0.925 . . . . 0.0 109.311 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.17 -39.96 88.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.927 . . . . 0.0 109.343 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -60.0 -40.08 87.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.34 -0.85 . . . . 0.0 109.709 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' B' ' 37' ' ' ASN . 57.2 p -60.0 -43.14 95.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.019 -1.051 . . . . 0.0 108.628 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.582 HH21 ' CG ' ' C' ' 82' ' ' ASN . 60.0 mtt-85 -64.21 -40.0 95.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.374 -0.828 . . . . 0.0 109.057 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.95 -45.32 95.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 C-N-CA 119.211 -0.996 . . . . 0.0 108.929 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -60.18 -41.9 93.89 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.034 -1.041 . . . . 0.0 109.982 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.03 98.69 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.07 -1.019 . . . . 0.0 108.874 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.02 -39.3 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.688 -0.632 . . . . 0.0 109.457 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.64 -40.31 87.23 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.103 -0.998 . . . . 0.0 109.516 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.33 -40.86 98.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.8 -1.187 . . . . 0.0 108.553 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.53 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 51.0 m-85 -67.12 -39.82 86.73 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.365 -0.834 . . . . 0.0 109.834 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 42.7 mt -59.84 -39.94 86.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.733 -1.229 . . . . 0.0 108.762 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.93 -39.35 85.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.932 -1.105 . . . . 0.0 109.114 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -59.8 -39.77 86.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.222 -0.924 . . . . 0.0 109.108 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.506 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.8 OUTLIER -59.94 -39.93 87.23 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.975 -1.078 . . . . 0.0 109.188 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.74 86.18 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 120.772 -1.205 . . . . 0.0 108.247 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.76 -39.81 86.05 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.16 -0.963 . . . . 0.0 108.85 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -69.42 117.85 11.55 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.017 -1.052 . . . . 0.0 108.645 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . 0.667 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 70.5 m-80 -134.47 -69.36 0.52 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.095 -1.003 . . . . 0.0 110.461 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.15 117.0 5.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.219 -0.925 . . . . 0.0 109.658 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -100.54 129.92 46.54 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.404 -0.81 . . . . 0.0 110.469 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 61.56 25.57 65.46 Favored Glycine 0 N--CA 1.489 2.229 0 C-N-CA 119.898 -1.144 . . . . 0.0 110.274 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -76.6 23.63 0.16 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.637 -1.508 . . . . 0.0 109.433 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.451 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.26 99.57 1.33 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.682 -1.261 . . . . 0.0 110.41 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -108.26 11.53 27.22 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.098 -1.001 . . . . 0.0 109.643 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.475 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 22.6 mmm180 -133.35 23.08 4.07 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 177.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . 0.531 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -150.42 153.07 35.31 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.136 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.6 t -101.02 60.59 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.043 -1.036 . . . . 0.0 108.602 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.15 157.3 42.97 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.436 -0.79 . . . . 0.0 109.333 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -129.68 132.11 46.58 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.92 112.31 24.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.927 -1.108 . . . . 0.0 109.316 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.64 121.87 45.46 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.667 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 53.5 t -124.36 83.41 57.23 Favored Pre-proline 0 N--CA 1.499 1.99 0 O-C-N 121.415 -0.803 . . . . 0.0 110.153 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -86.62 62.65 4.61 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 122.902 2.401 . . . . 0.0 110.756 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.413 ' O ' ' C ' ' B' ' 73' ' ' PRO . 23.0 t90 -69.3 132.51 89.76 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.376 -0.827 . . . . 0.0 109.106 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.413 ' C ' ' O ' ' B' ' 72' ' ' TRP . 83.2 Cg_exo -38.38 149.27 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 121.695 1.597 . . . . 0.0 110.858 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.549 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 36.7 t-20 -127.79 -54.3 1.32 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.217 -0.927 . . . . 0.0 109.899 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.25 126.97 38.65 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.294 -0.879 . . . . 0.0 109.572 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.2 t -81.82 109.91 16.64 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.1 mt -83.79 136.18 34.25 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 121.624 0.726 . . . . 0.0 110.54 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' B' ' 78' ' ' THR . 9.2 t -94.72 111.46 54.3 Favored Pre-proline 0 N--CA 1.493 1.687 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -91.07 -50.06 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.267 0 C-N-CA 121.824 1.682 . . . . 0.0 115.193 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -121.55 -42.97 2.41 Favored 'General case' 0 N--CA 1.508 2.45 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -176.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.66 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.7 p90 -59.61 -49.52 77.45 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.435 -1.416 . . . . 0.0 112.133 -175.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.66 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 63.0 t30 -71.08 -40.56 71.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.234 -1.541 . . . . 0.0 110.844 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -60.15 -49.97 75.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.018 -1.051 . . . . 0.0 110.666 -178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.49 -47.15 87.39 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.835 -1.166 . . . . 0.0 109.248 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 70.5 p -68.5 -40.17 80.98 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.317 -0.865 . . . . 0.0 110.151 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -66.51 -40.14 89.06 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.94 -1.1 . . . . 0.0 109.319 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.1 -40.31 89.22 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.658 -1.276 . . . . 0.0 108.482 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.93 -40.76 94.45 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.075 -1.015 . . . . 0.0 108.944 178.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.53 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 64.7 t90 -60.09 -49.87 75.95 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.187 -0.945 . . . . 0.0 109.225 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -63.38 -42.4 98.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.206 -0.934 . . . . 0.0 109.231 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 53.3 mtt-85 -62.03 -43.53 98.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.149 -0.97 . . . . 0.0 110.305 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -60.05 -41.39 92.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.701 -1.25 . . . . 0.0 109.235 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.03 -40.14 88.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.294 -0.879 . . . . 0.0 109.265 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.76 -40.21 94.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.121 -0.987 . . . . 0.0 110.741 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -69.86 -39.95 76.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.814 -1.179 . . . . 0.0 109.602 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.83 -41.03 88.12 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.198 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.16 -48.63 80.92 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.294 -0.879 . . . . 0.0 108.965 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -61.38 -43.52 98.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.56 -0.713 . . . . 0.0 109.567 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -63.96 -40.15 95.75 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.235 -0.915 . . . . 0.0 109.955 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -67.69 -40.32 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.138 -0.977 . . . . 0.0 109.594 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.6 p -63.46 -40.26 96.66 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.941 -1.1 . . . . 0.0 109.51 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.78 -49.88 75.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.296 -0.877 . . . . 0.0 110.098 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 99.2 mt -61.6 -41.77 97.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.138 -0.976 . . . . 0.0 109.58 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.72 -43.38 97.94 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.18 -0.95 . . . . 0.0 109.166 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.08 -47.91 83.93 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.189 -0.944 . . . . 0.0 109.462 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.8 -40.4 95.17 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.171 -0.956 . . . . 0.0 109.552 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.72 92.91 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.197 -0.939 . . . . 0.0 109.574 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.28 -48.1 83.19 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.193 -0.942 . . . . 0.0 109.391 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.417 HG22 HD11 ' B' ' 109' ' ' ILE . 96.7 mt -60.08 -49.04 85.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 121.332 -0.855 . . . . 0.0 108.735 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -67.64 -40.01 84.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.417 -0.802 . . . . 0.0 110.568 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.54 -50.04 75.14 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.1 -1.0 . . . . 0.0 110.014 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -62.69 -41.75 99.27 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.161 -0.962 . . . . 0.0 109.001 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -61.39 -42.3 98.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.359 -0.838 . . . . 0.0 110.083 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.34 -41.15 98.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.836 -1.165 . . . . 0.0 109.199 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -68.81 -40.72 79.41 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.23 -0.919 . . . . 0.0 108.703 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -60.19 -47.83 84.3 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.0 -39.93 91.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.214 -0.929 . . . . 0.0 109.134 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.67 -41.21 94.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.459 -0.776 . . . . 0.0 109.881 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.6 mt-30 -60.45 -40.79 92.44 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.151 -0.968 . . . . 0.0 109.598 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -60.63 -39.63 88.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.206 -0.934 . . . . 0.0 109.456 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.55 -49.51 77.49 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -116.13 58.99 0.74 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.652 -0.655 . . . . 0.0 109.311 178.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.411 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.8 t . . . . . 0 N--CA 1.493 1.697 0 O-C-N 120.947 -1.096 . . . . 0.0 109.439 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . 0.494 ' N ' ' OE1' ' C' ' 2' ' ' GLN . 1.0 OUTLIER -79.28 144.99 33.77 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.31 -0.868 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 38.7 p -89.03 59.88 5.19 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.137 -0.977 . . . . 0.0 108.908 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.67 -39.91 93.09 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.348 -0.845 . . . . 0.0 109.137 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -43.11 96.58 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.123 -0.985 . . . . 0.0 109.255 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.91 -43.17 99.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.181 -0.949 . . . . 0.0 108.54 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 39.5 mt -60.46 -39.85 89.04 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.564 -0.71 . . . . 0.0 110.167 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.06 84.53 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.973 -1.079 . . . . 0.0 108.463 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.01 -45.93 47.65 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.16 -48.32 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.178 -1.19 . . . . 0.0 109.785 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.15 -41.27 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.91 -39.95 91.28 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.453 -0.779 . . . . 0.0 108.951 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -60.3 -45.62 92.72 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.412 -0.805 . . . . 0.0 109.454 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -60.28 -41.61 93.69 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.406 -0.809 . . . . 0.0 109.321 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.14 -46.77 88.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.15 -0.969 . . . . 0.0 109.333 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.74 -41.26 95.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.297 -0.877 . . . . 0.0 109.933 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.31 -40.82 97.58 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.034 -1.041 . . . . 0.0 108.675 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.6 -43.61 97.2 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -60.07 -49.99 75.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.409 -0.807 . . . . 0.0 109.727 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.23 -40.84 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.033 -1.042 . . . . 0.0 109.558 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.68 -43.94 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.189 -0.944 . . . . 0.0 109.086 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -60.66 -41.37 94.86 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -61.11 -40.13 92.6 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.43 -0.794 . . . . 0.0 109.94 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.49 -40.29 90.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.251 -0.906 . . . . 0.0 109.407 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -59.95 -42.54 94.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.341 -0.849 . . . . 0.0 108.912 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.05 -40.12 82.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.19 -0.944 . . . . 0.0 109.112 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -64.22 -40.3 95.77 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.477 -0.764 . . . . 0.0 109.508 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 mt -60.49 -40.45 91.38 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.307 -0.871 . . . . 0.0 109.467 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.18 -40.46 94.0 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.161 -0.962 . . . . 0.0 109.52 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.503 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.9 mt -62.96 -40.11 96.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.201 -0.937 . . . . 0.0 109.081 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.0 p -65.86 -40.29 91.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.042 -1.036 . . . . 0.0 109.546 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.2 -40.37 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.267 -0.896 . . . . 0.0 109.074 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -60.15 -44.38 95.01 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.515 -0.741 . . . . 0.0 110.341 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.82 -46.91 93.28 Favored Glycine 0 N--CA 1.489 2.197 0 C-N-CA 119.397 -1.383 . . . . 0.0 109.945 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.55 -49.92 75.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.124 -1.221 . . . . 0.0 110.008 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -60.51 -40.07 90.08 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.115 -0.991 . . . . 0.0 109.417 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.424 ' O ' ' OG1' ' C' ' 40' ' ' THR . 53.6 t-20 -59.9 -40.11 87.66 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.318 -0.864 . . . . 0.0 109.315 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.94 -40.03 87.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.165 -0.959 . . . . 0.0 109.333 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -60.09 -40.0 88.1 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.155 -0.966 . . . . 0.0 109.49 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' C' ' 37' ' ' ASN . 57.9 p -59.84 -43.66 94.5 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.027 -1.046 . . . . 0.0 108.753 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.604 HH21 ' CG ' ' A' ' 82' ' ' ASN . 60.8 mtt-85 -63.81 -39.95 95.47 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.331 -0.855 . . . . 0.0 109.165 178.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.12 -45.31 95.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 C-N-CA 119.319 -0.953 . . . . 0.0 108.801 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 70.0 p -60.03 -42.19 93.87 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.027 -1.045 . . . . 0.0 109.912 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.3 96.6 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.089 -1.007 . . . . 0.0 108.934 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.09 -38.9 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.641 -0.662 . . . . 0.0 109.469 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -59.9 -40.46 88.85 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.334 -0.854 . . . . 0.0 109.56 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.2 -41.12 99.13 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.832 -1.147 . . . . 0.0 108.524 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.53 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 51.7 m-85 -66.9 -39.9 87.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.548 -0.72 . . . . 0.0 109.845 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 40.5 mt -59.83 -40.03 87.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.724 -1.235 . . . . 0.0 108.578 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.84 -39.69 85.98 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.924 -1.11 . . . . 0.0 109.015 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -59.65 -39.55 84.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.017 -1.052 . . . . 0.0 109.017 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.492 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.9 OUTLIER -60.04 -39.93 87.6 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.834 -1.166 . . . . 0.0 109.356 -179.869 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.81 -39.58 85.49 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.757 -1.214 . . . . 0.0 108.18 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.81 -39.78 86.2 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.287 -0.883 . . . . 0.0 108.92 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 55.3 mt -69.71 117.7 11.64 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.114 -0.991 . . . . 0.0 108.639 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . 0.673 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 70.3 m-80 -134.45 -69.6 0.52 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.348 -0.845 . . . . 0.0 110.57 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.07 116.87 5.49 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.254 -0.904 . . . . 0.0 109.429 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -100.56 129.85 46.55 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.458 -0.776 . . . . 0.0 110.162 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 61.76 25.24 65.4 Favored Glycine 0 N--CA 1.49 2.257 0 C-N-CA 120.11 -1.043 . . . . 0.0 110.591 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -76.56 24.01 0.15 Allowed 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.606 -1.526 . . . . 0.0 109.669 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 61' ' ' ALA . . . . . 0.461 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.48 99.18 1.29 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.983 -1.073 . . . . 0.0 110.466 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -107.97 11.59 27.73 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.185 -0.947 . . . . 0.0 109.64 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . 0.475 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 22.5 mmm180 -133.31 23.03 4.08 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . 0.539 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -150.48 153.02 35.13 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.183 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.5 t -101.01 60.48 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.996 -1.065 . . . . 0.0 108.646 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.93 157.55 43.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.472 -0.768 . . . . 0.0 109.418 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -129.71 132.02 46.5 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.61 112.22 24.09 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.827 -1.171 . . . . 0.0 109.385 -179.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.49 121.62 44.82 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.673 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 55.5 t -123.94 83.1 55.35 Favored Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 121.341 -0.849 . . . . 0.0 110.286 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -86.62 62.66 4.61 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.992 2.461 . . . . 0.0 110.962 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' C' ' 73' ' ' PRO . 23.4 t90 -69.47 132.69 89.34 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.532 -0.73 . . . . 0.0 109.155 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.401 ' C ' ' O ' ' C' ' 72' ' ' TRP . 79.0 Cg_exo -38.44 149.06 0.08 OUTLIER 'Trans proline' 0 N--CA 1.488 1.162 0 C-N-CA 121.589 1.526 . . . . 0.0 110.978 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.53 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 37.2 t-20 -127.68 -54.54 1.33 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.271 -0.893 . . . . 0.0 110.027 -178.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.08 126.85 38.38 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.374 -0.829 . . . . 0.0 109.542 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 11.4 t -81.74 109.75 16.43 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 36.2 mt -83.59 136.3 34.29 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.759 0.79 . . . . 0.0 110.454 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.444 ' O ' ' CG2' ' C' ' 78' ' ' THR . 9.0 t -94.97 111.23 53.84 Favored Pre-proline 0 N--CA 1.492 1.675 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -91.15 -49.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.407 0 C-N-CA 121.821 1.681 . . . . 0.0 115.38 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -121.84 -42.82 2.38 Favored 'General case' 0 N--CA 1.507 2.401 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -176.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.658 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.9 p90 -59.9 -49.67 76.79 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.359 -1.463 . . . . 0.0 112.045 -175.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.658 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 63.3 t30 -70.89 -40.29 72.31 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.355 -1.465 . . . . 0.0 110.85 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -60.01 -50.2 74.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.937 -1.102 . . . . 0.0 110.604 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.73 -46.79 89.08 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.898 -1.126 . . . . 0.0 109.389 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 72.4 p -68.68 -40.24 80.2 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.446 -0.784 . . . . 0.0 110.168 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 -66.47 -40.01 89.12 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 118.865 -1.134 . . . . 0.0 109.506 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.15 -40.34 89.52 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 118.575 -1.25 . . . . 0.0 108.586 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.87 -40.69 93.93 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.086 -1.009 . . . . 0.0 108.709 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.533 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 65.9 t90 -60.03 -49.87 75.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.182 -0.949 . . . . 0.0 109.346 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -63.25 -41.75 99.09 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.176 -0.953 . . . . 0.0 109.411 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 52.4 mtt-85 -62.6 -43.41 98.88 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.169 -0.957 . . . . 0.0 110.431 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -60.26 -41.22 92.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.88 -1.138 . . . . 0.0 109.203 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.14 -40.29 88.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.368 -0.832 . . . . 0.0 109.182 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.86 -40.03 93.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.363 -0.835 . . . . 0.0 110.908 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -70.0 -39.98 75.56 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.776 -1.202 . . . . 0.0 109.608 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.86 -41.15 87.79 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.107 -0.996 . . . . 0.0 109.107 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.26 -48.19 82.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 108.948 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.79 -42.86 99.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.386 -0.821 . . . . 0.0 109.7 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -64.45 -40.38 95.61 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.31 -0.869 . . . . 0.0 109.724 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 82.8 mt -67.55 -39.94 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.233 -0.917 . . . . 0.0 109.731 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 42.2 p -63.63 -40.27 96.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.951 -1.093 . . . . 0.0 109.356 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.86 -49.98 75.28 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.229 -0.919 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.56 -41.67 97.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.06 -1.025 . . . . 0.0 109.686 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.96 -43.46 98.7 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.144 -0.973 . . . . 0.0 109.16 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.84 -47.76 84.41 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.201 -0.937 . . . . 0.0 109.651 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.03 -40.2 94.49 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.239 -0.913 . . . . 0.0 109.303 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.74 93.36 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.223 -0.923 . . . . 0.0 109.59 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.18 -48.17 82.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.183 -0.948 . . . . 0.0 109.261 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.87 -49.31 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -67.44 -40.05 85.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.5 -0.75 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -60.33 -50.09 75.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.031 -1.043 . . . . 0.0 109.945 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -62.42 -42.02 99.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.078 -1.014 . . . . 0.0 109.078 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -60.86 -42.77 98.53 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.442 -0.786 . . . . 0.0 110.128 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.1 -41.75 98.52 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.768 -1.208 . . . . 0.0 109.22 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -68.44 -40.63 81.06 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.027 -1.046 . . . . 0.0 108.642 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -60.18 -47.74 84.65 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.08 -40.13 92.53 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.379 -0.825 . . . . 0.0 109.185 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.4 -41.31 93.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.517 -0.739 . . . . 0.0 109.745 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.4 mt-30 -60.46 -41.33 93.92 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.007 -1.058 . . . . 0.0 109.643 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -60.16 -39.57 86.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.057 -1.027 . . . . 0.0 109.505 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.6 -49.38 78.0 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -116.02 59.03 0.73 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.64 -0.662 . . . . 0.0 109.338 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.407 ' N ' ' O ' ' C' ' 119' ' ' GLN . 3.1 t . . . . . 0 N--CA 1.494 1.75 0 O-C-N 120.987 -1.071 . . . . 0.0 109.494 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . 0.542 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 84.8 mt-30 -69.53 145.04 52.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.286 -0.884 . . . . 0.0 109.792 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 m -89.17 63.19 6.49 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.347 -0.846 . . . . 0.0 109.04 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.13 -40.07 94.7 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.567 -0.708 . . . . 0.0 109.263 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.404 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 12.9 t -60.14 -42.26 94.46 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.139 -0.976 . . . . 0.0 109.046 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.404 ' N ' ' CG2' ' A' ' 5' ' ' THR . 64.4 tp -61.52 -41.35 97.19 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.9 mt -63.73 -39.15 93.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.499 -0.751 . . . . 0.0 109.325 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.35 91.88 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.062 -1.024 . . . . 0.0 108.616 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.53 -46.81 73.84 Favored Glycine 0 N--CA 1.486 2.015 0 N-CA-C 108.539 -1.824 . . . . 0.0 108.539 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.08 -50.02 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.471 -1.017 . . . . 0.0 109.387 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 69.2 t -60.5 -44.45 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.165 -0.959 . . . . 0.0 108.956 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.23 -40.18 93.06 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.48 -0.763 . . . . 0.0 109.207 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.03 -41.87 93.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.392 -0.817 . . . . 0.0 109.392 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.17 -40.69 90.81 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.054 -1.029 . . . . 0.0 109.543 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -60.19 -43.35 95.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.886 . . . . 0.0 108.613 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -62.11 -45.9 91.44 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.246 -0.909 . . . . 0.0 109.55 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.2 -43.85 95.6 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.216 -0.928 . . . . 0.0 109.055 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.89 -45.27 93.04 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.292 -0.88 . . . . 0.0 108.951 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -60.14 -47.13 87.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.384 -0.822 . . . . 0.0 109.722 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.08 -40.47 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.076 -1.015 . . . . 0.0 109.842 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -42.36 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.07 -1.019 . . . . 0.0 108.395 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -60.45 -40.37 90.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.536 -0.727 . . . . 0.0 109.122 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.568 ' NH1' HD21 ' B' ' 99' ' ' ASN . 31.1 mmt180 -60.11 -40.17 88.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.31 -0.869 . . . . 0.0 109.091 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -61.28 -39.97 92.41 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.22 -0.925 . . . . 0.0 109.438 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -60.13 -49.34 78.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.256 -0.902 . . . . 0.0 108.987 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.9 -44.28 97.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.333 -0.854 . . . . 0.0 109.36 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.05 -40.46 95.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.563 -0.711 . . . . 0.0 109.388 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.47 -40.67 92.09 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.275 -0.891 . . . . 0.0 109.709 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -60.56 -41.06 93.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.097 -1.002 . . . . 0.0 109.389 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.504 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.3 mt -61.32 -41.24 96.69 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.568 -0.707 . . . . 0.0 109.825 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -65.85 -40.02 91.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.095 -1.003 . . . . 0.0 109.557 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.11 -40.46 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.09 -1.006 . . . . 0.0 109.204 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -59.8 -43.8 94.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.291 -0.881 . . . . 0.0 109.919 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.47 -49.09 82.27 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.51 -50.06 75.06 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.158 -1.201 . . . . 0.0 110.272 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -61.35 -40.4 94.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.138 -0.976 . . . . 0.0 109.769 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.451 HD22 HH21 ' A' ' 41' ' ' ARG . 41.0 t30 -59.99 -41.58 92.37 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.254 -0.904 . . . . 0.0 109.64 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.19 -40.06 88.7 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.151 -0.968 . . . . 0.0 109.48 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -60.16 -42.47 95.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.043 -1.035 . . . . 0.0 109.645 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 43' ' ' THR . 73.4 p -60.15 -40.54 90.24 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.97 -1.081 . . . . 0.0 108.377 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.511 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 44.1 mtt-85 -67.66 -40.03 84.53 Favored 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.609 -0.836 . . . . 0.0 108.76 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.0 -41.58 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 40' ' ' THR . 75.9 p -60.09 -40.15 88.61 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.919 -1.113 . . . . 0.0 109.465 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.86 97.12 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.021 -1.049 . . . . 0.0 108.487 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.401 HD11 HG22 ' A' ' 45' ' ' ILE . 85.0 mt -61.51 -37.17 77.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.792 -0.568 . . . . 0.0 109.555 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.11 -40.1 88.51 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.17 -0.956 . . . . 0.0 108.91 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -64.55 -42.57 95.63 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.282 -0.886 . . . . 0.0 109.734 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.585 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 57.1 m-85 -67.87 -39.91 83.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.206 -0.934 . . . . 0.0 110.368 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.539 ' CD2' HE22 ' A' ' 52' ' ' GLN . 44.0 mt -60.17 -40.17 88.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.674 -1.266 . . . . 0.0 108.955 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -60.54 -40.08 90.24 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.643 -1.286 . . . . 0.0 108.952 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -59.98 -39.84 87.07 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.297 -0.877 . . . . 0.0 109.817 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.539 HE22 ' CD2' ' A' ' 49' ' ' LEU . 1.6 pt20 -59.69 -38.64 82.11 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.07 -1.018 . . . . 0.0 108.837 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.85 -39.19 80.55 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.931 -1.105 . . . . 0.0 108.041 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.01 -39.51 86.04 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.8 mt -70.53 117.96 12.73 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.077 -1.014 . . . . 0.0 108.684 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -133.19 -63.05 0.78 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.336 -0.852 . . . . 0.0 110.599 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.57 117.83 4.5 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.152 -0.967 . . . . 0.0 109.67 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -101.43 124.27 46.83 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.398 -0.814 . . . . 0.0 110.628 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 68.53 22.98 75.31 Favored Glycine 0 N--CA 1.493 2.469 0 O-C-N 121.101 -1.0 . . . . 0.0 110.794 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.58 24.24 0.21 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.752 -1.44 . . . . 0.0 110.146 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.93 110.69 2.4 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.885 -1.135 . . . . 0.0 110.398 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.438 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 36.3 m-85 -117.45 11.95 14.04 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.335 -0.853 . . . . 0.0 109.388 178.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -137.79 23.85 2.86 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 177.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.405 ' NE2' ' CG ' ' C' ' 62' ' ' PHE . 17.4 mp0 -146.44 151.77 37.95 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.0 t -101.44 57.28 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.914 -1.116 . . . . 0.0 108.234 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.24 158.28 42.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.695 -0.628 . . . . 0.0 109.757 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -128.33 133.89 48.78 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.4 t -89.45 113.2 24.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.5 -1.375 . . . . 0.0 109.669 -178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 122.75 47.39 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.3 t -128.68 82.68 68.15 Favored Pre-proline 0 N--CA 1.497 1.881 0 O-C-N 121.255 -0.903 . . . . 0.0 109.536 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -87.35 60.84 3.77 Favored 'Trans proline' 0 C--N 1.312 -1.363 0 C-N-CA 122.972 2.448 . . . . 0.0 111.332 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' PRO . 17.0 t90 -69.53 129.95 91.05 Favored Pre-proline 0 C--N 1.299 -1.605 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' TRP . 91.0 Cg_exo -41.09 148.03 0.26 Allowed 'Trans proline' 0 N--CA 1.489 1.209 0 C-N-CA 121.235 1.29 . . . . 0.0 110.811 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 10.8 t-20 -125.36 -53.55 1.59 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.386 -0.822 . . . . 0.0 109.316 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.8 124.95 34.15 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.2 t -81.85 107.14 14.34 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.5 mt -81.72 136.47 35.46 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.835 0.826 . . . . 0.0 110.156 -178.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -94.03 113.04 59.59 Favored Pre-proline 0 C--N 1.298 -1.672 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -87.61 -47.73 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 121.622 1.548 . . . . 0.0 114.393 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -120.94 -44.57 2.41 Favored 'General case' 0 N--CA 1.51 2.545 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -177.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.58 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.1 p90 -59.94 -45.23 93.29 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.368 -1.458 . . . . 0.0 112.766 -175.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.58 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.3 t30 -75.11 -46.93 31.27 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.118 -1.614 . . . . 0.0 110.434 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.95 -50.25 74.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.322 -0.861 . . . . 0.0 110.698 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.54 -45.12 95.02 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.912 -1.117 . . . . 0.0 109.264 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.5 p -68.28 -39.94 81.98 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.284 -0.885 . . . . 0.0 109.902 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -66.84 -39.83 87.76 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.0 -1.063 . . . . 0.0 109.255 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -59.95 -41.08 91.08 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.689 -1.257 . . . . 0.0 108.901 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.18 -39.95 96.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.105 -0.997 . . . . 0.0 108.756 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.486 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 72.5 t90 -60.01 -50.15 74.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.455 -0.778 . . . . 0.0 109.45 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -62.1 -42.39 99.18 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.094 -1.004 . . . . 0.0 109.605 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.438 ' HG2' HH11 ' A' ' 91' ' ' ARG . 0.9 OUTLIER -61.16 -42.21 98.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.349 -0.844 . . . . 0.0 110.367 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -60.16 -42.56 95.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.826 -1.171 . . . . 0.0 109.406 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -61.04 -41.39 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.228 -0.92 . . . . 0.0 109.085 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -59.98 -45.42 92.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.198 -0.939 . . . . 0.0 110.139 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -61.27 -42.68 99.05 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.919 -1.113 . . . . 0.0 109.544 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.65 -40.36 92.38 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 119.601 -0.84 . . . . 0.0 109.569 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.87 -40.13 94.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.015 -1.053 . . . . 0.0 109.683 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.3 -39.95 77.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 0.0 109.714 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.515 HD21 ' NH1' ' C' ' 23' ' ' ARG . 96.6 m-20 -67.33 -40.26 85.9 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.16 -0.962 . . . . 0.0 109.956 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.69 -40.26 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.126 -0.984 . . . . 0.0 109.369 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.2 p -63.07 -40.87 98.97 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.153 -0.967 . . . . 0.0 109.897 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.11 -43.0 96.64 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.048 -1.033 . . . . 0.0 109.861 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.97 -40.49 91.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.189 -0.944 . . . . 0.0 109.446 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.45 -41.16 96.69 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.232 -0.917 . . . . 0.0 109.027 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.02 -50.17 74.8 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.311 -0.868 . . . . 0.0 109.57 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.56 -41.33 98.84 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.272 -0.892 . . . . 0.0 108.968 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.33 82.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.463 -0.773 . . . . 0.0 109.802 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.56 -45.4 94.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.25 -0.906 . . . . 0.0 109.49 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.9 mt -60.33 -49.57 83.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.306 -0.871 . . . . 0.0 109.019 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -67.77 -40.02 84.08 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.118 -0.988 . . . . 0.0 110.203 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -59.95 -44.52 94.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.01 -1.056 . . . . 0.0 110.053 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.65 -39.94 88.45 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.159 -0.963 . . . . 0.0 109.382 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -66.37 -39.96 89.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 0.0 109.736 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -62.46 -42.36 99.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -0.921 . . . . 0.0 109.669 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 26.2 ttt -68.66 -40.13 80.34 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.051 -1.03 . . . . 0.0 108.642 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -60.56 -48.57 81.19 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.421 -0.799 . . . . 0.0 109.384 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.06 -40.11 88.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.277 -0.889 . . . . 0.0 109.366 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.86 -42.32 93.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.357 -0.839 . . . . 0.0 109.606 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.7 mt-30 -61.74 -40.65 95.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.059 -1.026 . . . . 0.0 109.598 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -60.21 -39.1 85.4 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.244 -0.91 . . . . 0.0 109.402 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 88.4 mt -58.43 -48.63 80.07 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -121.82 59.87 0.98 Allowed 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.493 1.695 0 O-C-N 120.989 -1.07 . . . . 0.0 109.111 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.492 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.164 0.507 . . . . 0.0 109.688 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . 0.542 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 84.0 mt-30 -69.77 144.85 52.57 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.432 -0.793 . . . . 0.0 109.676 -179.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.3 m -88.89 63.11 6.65 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.37 -0.831 . . . . 0.0 109.084 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.04 -40.03 94.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.565 -0.71 . . . . 0.0 109.211 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.403 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 13.2 t -60.44 -41.95 95.1 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.196 -0.94 . . . . 0.0 108.934 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' B' ' 5' ' ' THR . 63.1 tp -61.97 -40.7 96.5 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.19 -39.63 94.4 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.574 -0.704 . . . . 0.0 109.142 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -41.12 90.36 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.052 -1.03 . . . . 0.0 108.47 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.77 -46.8 71.71 Favored Glycine 0 N--CA 1.485 1.925 0 N-CA-C 108.546 -1.821 . . . . 0.0 108.546 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.14 -49.98 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.394 -1.063 . . . . 0.0 109.438 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 68.5 t -60.14 -44.32 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.384 -0.822 . . . . 0.0 108.958 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.6 -39.96 93.09 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.525 -0.735 . . . . 0.0 109.169 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.12 -41.96 93.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.338 -0.851 . . . . 0.0 109.385 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -60.1 -40.75 90.73 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.041 -1.037 . . . . 0.0 109.336 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -60.02 -43.28 95.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.073 -1.017 . . . . 0.0 108.896 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -62.01 -46.25 90.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 109.433 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.02 -43.9 94.96 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.245 -0.909 . . . . 0.0 109.211 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.87 -45.43 92.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.279 -0.888 . . . . 0.0 108.994 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.02 -46.98 87.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.308 -0.87 . . . . 0.0 109.695 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.05 -40.76 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.988 -1.07 . . . . 0.0 109.84 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.08 -41.81 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.55 -40.38 91.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.429 -0.794 . . . . 0.0 109.118 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.48 ' NH1' HD21 ' C' ' 99' ' ' ASN . 31.0 mmt180 -60.38 -40.06 89.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.365 -0.834 . . . . 0.0 109.124 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -61.1 -40.15 92.66 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 119.718 -0.793 . . . . 0.0 109.599 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -60.09 -49.44 77.63 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.344 -0.848 . . . . 0.0 108.993 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.55 -44.35 96.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.343 -0.848 . . . . 0.0 109.422 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.3 tp -62.05 -40.6 96.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.455 -0.778 . . . . 0.0 109.532 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.12 -41.01 91.71 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.364 -0.835 . . . . 0.0 109.529 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 mtt-85 -60.61 -41.4 94.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.143 -0.973 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.486 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 84.8 mt -61.06 -41.06 95.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.11 -0.994 . . . . 0.0 110.025 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 79.8 p -65.76 -39.89 91.51 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.128 -0.982 . . . . 0.0 109.534 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.74 -40.04 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.056 -1.028 . . . . 0.0 109.223 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -60.06 -44.1 94.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.421 -0.799 . . . . 0.0 109.886 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.37 -48.93 83.59 Favored Glycine 0 N--CA 1.484 1.871 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.83 -49.99 75.25 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.101 -1.235 . . . . 0.0 110.132 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -61.33 -40.58 94.78 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.986 -1.071 . . . . 0.0 109.787 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.468 HD22 HH21 ' B' ' 41' ' ' ARG . 40.5 t30 -60.0 -40.77 90.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.238 -0.913 . . . . 0.0 109.644 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.91 -40.0 91.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.215 -0.928 . . . . 0.0 109.368 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -60.24 -42.15 94.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.125 -0.984 . . . . 0.0 109.541 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.419 ' O ' ' OG1' ' B' ' 43' ' ' THR . 76.5 p -60.05 -40.63 90.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.022 -1.049 . . . . 0.0 108.581 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.482 ' NH2' ' CG ' ' C' ' 82' ' ' ASN . 44.7 mtt-85 -67.7 -39.98 84.33 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.1 -41.45 86.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 40' ' ' THR . 72.6 p -60.28 -40.04 89.01 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.883 -1.136 . . . . 0.0 109.321 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -42.79 97.74 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.004 -1.06 . . . . 0.0 108.463 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.62 -36.97 76.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.764 -0.585 . . . . 0.0 109.647 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.11 88.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.005 -1.059 . . . . 0.0 108.916 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -64.7 -42.7 95.11 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.887 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.57 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 59.2 m-85 -67.63 -40.02 84.64 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.286 -0.884 . . . . 0.0 110.128 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.537 ' CD2' HE22 ' B' ' 52' ' ' GLN . 42.6 mt -60.04 -40.38 89.2 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.795 -1.191 . . . . 0.0 109.046 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -60.05 -40.25 88.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.77 -1.207 . . . . 0.0 109.125 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -59.97 -39.54 86.04 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.564 -0.71 . . . . 0.0 109.626 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.537 HE22 ' CD2' ' B' ' 49' ' ' LEU . 1.6 pt20 -59.93 -38.77 83.33 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.709 -1.244 . . . . 0.0 109.013 -179.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.91 -38.9 79.99 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 120.807 -1.183 . . . . 0.0 107.841 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.05 -39.6 86.52 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.305 -0.872 . . . . 0.0 109.055 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 41.1 mt -70.73 117.97 12.93 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.132 -0.98 . . . . 0.0 108.626 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -133.2 -62.7 0.79 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.4 -0.813 . . . . 0.0 110.647 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.64 117.72 4.45 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.066 -1.021 . . . . 0.0 109.672 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' TRP . . . . . 0.4 ' H ' ' HB1' ' C' ' 57' ' ' ALA . 65.5 m95 -101.3 123.74 45.88 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.418 -0.801 . . . . 0.0 110.666 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.403 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 69.12 23.1 76.24 Favored Glycine 0 N--CA 1.497 2.703 0 C-N-CA 120.261 -0.971 . . . . 0.0 110.824 178.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.78 24.43 0.22 Allowed 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.941 -1.329 . . . . 0.0 110.228 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.403 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.98 109.93 2.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.803 -1.186 . . . . 0.0 110.461 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.447 ' CG ' ' NE2' ' C' ' 64' ' ' GLN . 35.0 m-85 -116.64 11.71 14.76 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.208 -0.932 . . . . 0.0 109.018 178.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -137.49 23.69 2.93 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . 0.438 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 18.0 mp0 -146.58 151.94 38.13 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 t -101.04 57.3 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.075 -1.016 . . . . 0.0 108.455 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.34 158.27 42.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.623 -0.673 . . . . 0.0 109.666 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -128.33 133.71 48.75 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 9.5 t -89.37 113.24 24.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.653 -1.28 . . . . 0.0 109.653 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.02 122.82 47.38 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 90.9 t -128.73 82.32 68.92 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 121.345 -0.847 . . . . 0.0 109.706 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -87.08 61.43 4.05 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 C-N-CA 122.993 2.462 . . . . 0.0 111.199 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' B' ' 73' ' ' PRO . 17.6 t90 -70.1 129.89 90.26 Favored Pre-proline 0 C--N 1.301 -1.504 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.411 ' C ' ' O ' ' B' ' 72' ' ' TRP . 98.6 Cg_exo -41.21 147.91 0.29 Allowed 'Trans proline' 0 N--CA 1.487 1.1 0 C-N-CA 121.142 1.228 . . . . 0.0 110.887 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.585 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 10.7 t-20 -125.3 -53.16 1.61 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.247 -0.908 . . . . 0.0 109.416 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.95 125.07 34.31 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 38.8 t -81.86 107.66 14.76 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.7 mt -81.92 136.71 35.29 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.906 0.86 . . . . 0.0 110.185 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -94.12 112.84 58.94 Favored Pre-proline 0 N--CA 1.492 1.641 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -87.16 -47.66 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.169 0 C-N-CA 121.683 1.589 . . . . 0.0 114.475 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -121.23 -44.43 2.38 Favored 'General case' 0 N--CA 1.509 2.501 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -176.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.589 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -60.07 -45.75 91.86 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.508 -1.37 . . . . 0.0 112.709 -175.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.589 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.3 t30 -74.71 -46.56 36.77 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.128 -1.608 . . . . 0.0 110.583 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -60.08 -50.08 75.11 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.299 -0.876 . . . . 0.0 110.909 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.68 -45.16 95.21 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.789 -1.194 . . . . 0.0 109.284 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.8 p -68.36 -40.07 81.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.213 -0.93 . . . . 0.0 109.918 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -66.27 -40.07 89.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.046 -1.034 . . . . 0.0 109.211 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -60.0 -41.19 91.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.784 -1.198 . . . . 0.0 108.72 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.33 -40.0 96.09 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.16 -0.962 . . . . 0.0 108.527 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.504 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 72.6 t90 -60.06 -49.91 75.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.399 -0.813 . . . . 0.0 109.443 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -62.49 -42.35 99.44 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.063 -1.023 . . . . 0.0 109.73 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.448 ' HG2' HH11 ' B' ' 91' ' ' ARG . 0.9 OUTLIER -60.93 -42.46 98.21 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.121 -0.987 . . . . 0.0 110.247 -179.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -59.96 -42.46 94.13 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.83 -1.169 . . . . 0.0 109.615 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.27 -41.7 90.66 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.384 -0.823 . . . . 0.0 108.941 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.01 -45.1 93.86 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.229 -0.919 . . . . 0.0 109.874 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -61.46 -42.32 98.58 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.722 -1.236 . . . . 0.0 109.642 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.28 -40.11 89.86 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.073 -1.017 . . . . 0.0 109.46 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.69 -40.06 94.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.045 -1.035 . . . . 0.0 109.846 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.39 -40.1 77.58 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.055 -1.028 . . . . 0.0 109.75 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.568 HD21 ' NH1' ' A' ' 23' ' ' ARG . 96.7 m-20 -67.16 -39.95 86.58 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.935 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.9 mt -66.32 -40.2 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.25 -0.906 . . . . 0.0 109.344 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 24.3 p -62.55 -41.42 98.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.242 -0.911 . . . . 0.0 109.77 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.61 96.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.219 -0.926 . . . . 0.0 109.778 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.79 -40.61 92.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.125 -0.984 . . . . 0.0 109.524 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.38 -40.97 96.86 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.095 -1.003 . . . . 0.0 108.998 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.16 -49.82 76.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.466 -0.771 . . . . 0.0 109.388 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.09 -41.23 99.35 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.086 -1.008 . . . . 0.0 108.952 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.9 79.73 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.341 -0.849 . . . . 0.0 109.722 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.09 -45.7 92.05 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.171 -0.955 . . . . 0.0 109.599 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.09 -49.28 84.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.219 -0.926 . . . . 0.0 109.13 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -67.94 -40.08 83.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.071 -1.018 . . . . 0.0 110.366 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -59.93 -44.88 94.08 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.283 -0.885 . . . . 0.0 109.937 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -66.01 -40.31 91.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.001 -1.062 . . . . 0.0 109.376 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -66.04 -40.27 90.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.108 -0.995 . . . . 0.0 109.536 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -62.48 -42.04 99.21 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.113 -0.992 . . . . 0.0 109.864 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 26.2 ttt -68.9 -39.94 79.45 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.129 -0.982 . . . . 0.0 108.689 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -60.34 -49.14 78.78 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.439 -0.788 . . . . 0.0 109.475 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.02 -40.12 88.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.245 -0.91 . . . . 0.0 109.103 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.01 -42.28 93.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.25 -0.906 . . . . 0.0 109.606 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.6 mt-30 -61.76 -40.07 93.84 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.096 -1.002 . . . . 0.0 109.845 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.18 -39.64 87.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.149 -0.969 . . . . 0.0 109.512 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.21 -49.2 77.88 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -121.35 59.91 0.95 Allowed 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.436 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.215 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . 0.523 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 85.0 mt-30 -69.28 145.01 53.43 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.037 -1.039 . . . . 0.0 109.907 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 7.0 m -89.21 62.82 6.32 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.327 -0.858 . . . . 0.0 108.827 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.09 -40.07 94.61 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.617 -0.677 . . . . 0.0 109.315 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.412 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 12.8 t -60.23 -42.22 94.78 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.269 -0.894 . . . . 0.0 109.013 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.412 ' N ' ' CG2' ' C' ' 5' ' ' THR . 64.4 tp -61.71 -40.91 96.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.106 -0.996 . . . . 0.0 108.367 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.01 -39.22 93.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.594 -0.692 . . . . 0.0 109.291 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -41.68 92.25 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.51 -46.63 75.62 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 108.797 -1.721 . . . . 0.0 108.797 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.17 -50.04 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.383 -1.069 . . . . 0.0 109.409 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 69.6 t -60.17 -44.42 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.115 -0.99 . . . . 0.0 108.903 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.02 -40.13 92.42 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.651 -0.656 . . . . 0.0 109.329 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.18 -41.88 93.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.864 . . . . 0.0 109.341 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.28 -40.66 91.2 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.146 -0.971 . . . . 0.0 109.465 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.14 -43.63 95.57 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.15 -0.969 . . . . 0.0 108.52 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -61.61 -46.08 91.35 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.254 -0.903 . . . . 0.0 109.545 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.18 -43.77 95.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.305 -0.872 . . . . 0.0 109.202 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.05 -45.09 94.0 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.395 -0.816 . . . . 0.0 108.988 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -60.42 -47.22 87.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.918 . . . . 0.0 109.543 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 78.8 t -59.97 -40.34 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.057 -1.027 . . . . 0.0 109.766 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.17 -42.03 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 120.897 -1.127 . . . . 0.0 108.542 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -60.47 -40.17 90.28 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.515 ' NH1' HD21 ' A' ' 99' ' ' ASN . 31.0 mmt180 -60.27 -40.48 90.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.235 -0.916 . . . . 0.0 108.948 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.93 -40.13 92.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.217 -0.927 . . . . 0.0 109.575 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -59.91 -49.61 77.0 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.13 -0.981 . . . . 0.0 109.118 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.4 -44.47 95.66 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.323 -0.86 . . . . 0.0 109.314 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.6 tp -62.04 -40.97 97.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.38 -0.825 . . . . 0.0 109.448 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.01 -40.64 89.95 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.238 -0.913 . . . . 0.0 109.537 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -60.97 -40.54 93.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.114 -0.991 . . . . 0.0 109.541 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.486 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 86.1 mt -61.77 -40.69 96.05 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.146 -0.972 . . . . 0.0 109.864 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.5 p -65.9 -40.03 91.13 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.14 -0.975 . . . . 0.0 109.493 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.55 -40.08 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.153 -0.967 . . . . 0.0 109.215 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -59.93 -44.15 94.52 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.361 -0.837 . . . . 0.0 109.923 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.29 -49.61 76.66 Favored Glycine 0 N--CA 1.485 1.923 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.1 -49.83 76.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.173 -1.192 . . . . 0.0 110.218 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -61.6 -40.22 94.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.976 -1.078 . . . . 0.0 110.057 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.469 HD22 HH21 ' C' ' 41' ' ' ARG . 41.0 t30 -60.38 -40.48 91.01 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.3 -0.875 . . . . 0.0 109.715 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.15 -40.2 92.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.346 -0.846 . . . . 0.0 109.368 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -60.3 -42.0 94.61 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.93 . . . . 0.0 109.585 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.414 ' O ' ' OG1' ' C' ' 43' ' ' THR . 68.1 p -60.14 -40.84 91.21 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.943 -1.098 . . . . 0.0 108.557 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.506 ' NH2' ' CG ' ' A' ' 82' ' ' ASN . 44.3 mtt-85 -67.47 -40.05 85.3 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.94 -41.58 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 119.751 -0.78 . . . . 0.0 108.986 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' C' ' 40' ' ' THR . 74.8 p -59.98 -40.85 90.53 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.118 -0.989 . . . . 0.0 109.277 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.93 96.3 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.079 -1.013 . . . . 0.0 108.466 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.4 mt -61.62 -36.63 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.622 -0.674 . . . . 0.0 109.766 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.25 -40.49 90.47 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 108.657 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -64.25 -42.75 96.36 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.034 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 59.0 m-85 -67.72 -39.81 84.28 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.168 -0.958 . . . . 0.0 110.31 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . 0.534 ' CD2' HE22 ' C' ' 52' ' ' GLN . 43.9 mt -60.04 -40.62 90.04 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.662 -1.274 . . . . 0.0 109.054 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -60.21 -39.98 88.53 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.703 -1.248 . . . . 0.0 109.035 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.26 -39.63 87.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.352 -0.842 . . . . 0.0 109.746 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.534 HE22 ' CD2' ' C' ' 49' ' ' LEU . 1.6 pt20 -59.8 -38.26 81.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.97 -1.081 . . . . 0.0 108.946 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.21 82.37 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.04 -39.56 86.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.335 -0.853 . . . . 0.0 108.906 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -70.82 117.95 12.98 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.131 -0.98 . . . . 0.0 108.599 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -133.17 -62.56 0.79 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.279 -0.888 . . . . 0.0 110.528 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . 0.4 ' HB1' ' H ' ' B' ' 58' ' ' TRP . . . -154.7 117.64 4.41 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.158 -0.964 . . . . 0.0 109.98 -178.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -101.25 123.68 45.74 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.342 -0.849 . . . . 0.0 110.874 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . 0.407 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 68.92 23.31 75.93 Favored Glycine 0 N--CA 1.493 2.5 0 C-N-CA 120.079 -1.057 . . . . 0.0 110.661 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.73 24.22 0.22 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.763 -1.434 . . . . 0.0 110.04 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 61' ' ' ALA . . . . . 0.407 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.74 110.48 2.42 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.836 -1.165 . . . . 0.0 110.442 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 62' ' ' PHE . . . . . 0.405 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 36.8 m-85 -117.04 11.78 14.35 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 121.335 -0.853 . . . . 0.0 109.338 177.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -137.8 24.05 2.85 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 177.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . 0.447 ' NE2' ' CG ' ' B' ' 62' ' ' PHE . 18.0 mp0 -146.39 152.0 38.37 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 t -101.29 57.28 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.947 -1.095 . . . . 0.0 108.105 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.27 158.29 42.6 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.627 -0.671 . . . . 0.0 109.695 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -128.52 133.84 48.52 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -89.47 113.18 24.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.634 -1.291 . . . . 0.0 109.624 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.78 122.81 47.52 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.81 82.91 67.72 Favored Pre-proline 0 N--CA 1.496 1.825 0 O-C-N 121.362 -0.837 . . . . 0.0 109.481 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -87.52 61.49 3.71 Favored 'Trans proline' 0 C--N 1.314 -1.286 0 C-N-CA 122.845 2.363 . . . . 0.0 111.35 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -69.92 129.7 90.71 Favored Pre-proline 0 C--N 1.301 -1.528 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -41.11 147.98 0.26 Allowed 'Trans proline' 0 N--CA 1.488 1.181 0 C-N-CA 121.255 1.303 . . . . 0.0 110.92 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.57 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 10.6 t-20 -125.42 -53.33 1.59 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.259 -0.901 . . . . 0.0 109.274 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.63 125.14 34.2 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.047 -1.033 . . . . 0.0 108.216 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 40.7 t -82.02 107.2 14.54 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 28.4 mt -81.87 136.3 35.36 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.776 0.798 . . . . 0.0 110.222 -178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -93.73 113.09 59.47 Favored Pre-proline 0 C--N 1.299 -1.612 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -87.61 -48.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.138 0 C-N-CA 121.786 1.657 . . . . 0.0 114.41 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -120.7 -45.1 2.41 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.03 -1.044 . . . . 0.0 113.47 -177.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.586 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.1 p90 -59.74 -45.38 92.37 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.419 -1.426 . . . . 0.0 112.747 -175.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.586 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.4 t30 -74.95 -46.69 33.88 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.018 -1.677 . . . . 0.0 110.71 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -60.03 -50.44 73.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 110.845 -178.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.38 -44.71 95.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.877 -1.139 . . . . 0.0 109.256 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 46.6 p -68.77 -40.04 79.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.162 -0.962 . . . . 0.0 109.747 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -66.45 -39.85 89.11 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.873 -1.142 . . . . 0.0 109.386 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -60.07 -40.82 90.85 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.685 -1.259 . . . . 0.0 108.847 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.2 -40.0 96.25 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.123 -0.986 . . . . 0.0 108.721 178.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.486 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 72.8 t90 -60.03 -49.84 76.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.422 -0.798 . . . . 0.0 109.524 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -62.37 -42.62 99.55 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.246 -0.909 . . . . 0.0 109.511 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . 0.457 HH11 ' HG2' ' C' ' 91' ' ' ARG . 1.0 OUTLIER -61.25 -42.38 98.53 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.253 -0.904 . . . . 0.0 110.174 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.14 -42.83 95.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.653 -1.279 . . . . 0.0 109.445 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.76 -41.73 89.56 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.165 -0.959 . . . . 0.0 109.077 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.96 -45.5 92.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.13 -0.981 . . . . 0.0 109.988 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -61.02 -42.43 98.45 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.867 -1.146 . . . . 0.0 109.66 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.08 -40.2 90.66 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.194 -0.941 . . . . 0.0 109.421 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.81 -40.23 94.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.959 -1.088 . . . . 0.0 109.895 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.14 -39.95 78.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.929 . . . . 0.0 109.738 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . 0.48 HD21 ' NH1' ' B' ' 23' ' ' ARG . 96.8 m-20 -67.48 -40.04 85.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.05 -1.031 . . . . 0.0 109.831 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 89.6 mt -65.97 -40.03 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 120.986 -1.071 . . . . 0.0 109.413 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 24.2 p -62.84 -41.64 99.43 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.049 -1.032 . . . . 0.0 109.884 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.89 96.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.329 -0.857 . . . . 0.0 109.533 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.43 -40.45 93.31 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.085 -1.009 . . . . 0.0 109.626 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.35 -41.26 96.84 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.296 -0.878 . . . . 0.0 108.941 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.21 -49.71 76.56 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.326 -0.859 . . . . 0.0 109.507 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.84 -41.58 99.39 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.134 -0.979 . . . . 0.0 108.916 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.36 -48.7 80.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.43 -0.794 . . . . 0.0 109.833 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.22 -45.6 92.65 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.256 -0.902 . . . . 0.0 109.617 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.6 mt -60.11 -49.51 83.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 121.419 -0.8 . . . . 0.0 109.242 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -67.9 -39.93 83.53 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.461 -0.775 . . . . 0.0 110.261 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -60.04 -44.97 94.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.175 -0.953 . . . . 0.0 109.973 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.92 -39.99 91.06 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.055 -1.028 . . . . 0.0 109.397 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -66.52 -39.97 88.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.334 -0.854 . . . . 0.0 109.856 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -62.63 -42.04 99.37 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.318 -0.864 . . . . 0.0 109.806 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 26.3 ttt -68.79 -40.4 79.64 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.017 -1.052 . . . . 0.0 108.599 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -60.06 -48.68 80.71 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.613 -0.68 . . . . 0.0 109.574 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.28 -40.0 88.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.487 -0.758 . . . . 0.0 109.42 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.09 -41.89 93.49 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.379 -0.826 . . . . 0.0 109.481 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.4 mt-30 -62.16 -40.51 96.25 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.941 -1.099 . . . . 0.0 109.766 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -60.09 -38.98 84.55 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.272 -0.893 . . . . 0.0 109.452 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 89.6 mt -58.61 -48.78 79.81 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -121.87 60.07 0.98 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.428 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.3 t . . . . . 0 N--CA 1.496 1.86 0 O-C-N 120.989 -1.069 . . . . 0.0 109.276 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.333 0.587 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.59 144.43 53.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.429 -0.795 . . . . 0.0 109.563 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -89.32 59.47 4.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.27 -0.894 . . . . 0.0 109.238 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -63.48 -39.96 95.84 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.434 -0.792 . . . . 0.0 109.132 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.431 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 14.8 t -59.95 -43.83 94.76 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.364 -0.835 . . . . 0.0 109.595 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.431 ' N ' ' CG2' ' A' ' 5' ' ' THR . 61.8 tp -62.6 -42.37 99.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.979 -1.075 . . . . 0.0 108.592 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.3 mt -60.76 -39.95 90.68 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.508 -0.745 . . . . 0.0 110.255 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.06 -1.025 . . . . 0.0 108.564 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.87 -45.4 57.81 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.402 HG22 HD11 ' A' ' 10' ' ' ILE . 96.6 mt -60.02 -49.61 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.283 -1.128 . . . . 0.0 109.963 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.05 -42.5 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 120.846 -1.159 . . . . 0.0 108.494 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -61.06 -40.01 92.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.375 -0.828 . . . . 0.0 109.893 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -59.98 -41.87 92.97 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.259 -0.9 . . . . 0.0 109.386 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -61.91 -40.62 96.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.119 -0.988 . . . . 0.0 109.066 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.15 -43.79 95.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.34 -0.85 . . . . 0.0 109.173 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.9 -42.63 98.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.346 -0.846 . . . . 0.0 108.942 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.5 mt -64.28 -40.9 96.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.351 -0.843 . . . . 0.0 109.688 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.3 -41.74 97.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.176 -0.953 . . . . 0.0 108.676 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -60.04 -49.99 75.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.169 -0.957 . . . . 0.0 109.948 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.4 t -59.96 -41.18 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.172 -0.955 . . . . 0.0 109.948 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.02 -42.74 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.24 -0.913 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.424 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 86.5 tttt -61.76 -41.25 97.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.6 -0.687 . . . . 0.0 109.472 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.8 mtt-85 -61.42 -39.98 92.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.417 -0.802 . . . . 0.0 109.961 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.97 -39.97 87.47 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.117 -0.989 . . . . 0.0 108.958 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -60.05 -49.7 76.61 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.063 -1.023 . . . . 0.0 109.718 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' A' ' 22' ' ' LYS . 2.7 mp0 -64.37 -41.46 96.71 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.682 -1.261 . . . . 0.0 109.315 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.47 -40.7 92.17 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.354 -0.841 . . . . 0.0 109.04 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -59.91 -40.37 88.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.453 -0.78 . . . . 0.0 109.271 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.22 -39.99 92.31 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.165 -0.959 . . . . 0.0 109.328 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.509 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 85.4 mt -62.46 -40.63 97.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.16 -0.963 . . . . 0.0 109.403 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.9 p -63.85 -39.93 95.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.985 -1.072 . . . . 0.0 109.328 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.26 -40.08 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.38 -0.825 . . . . 0.0 109.474 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -59.99 -47.2 86.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.382 -0.824 . . . . 0.0 110.512 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.49 -50.25 68.72 Favored Glycine 0 N--CA 1.487 2.044 0 C-N-CA 119.37 -1.395 . . . . 0.0 110.042 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.19 -50.02 75.31 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.954 -1.321 . . . . 0.0 109.913 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -61.16 -39.53 90.47 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.234 -0.916 . . . . 0.0 109.141 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.609 ' ND2' ' NH2' ' A' ' 41' ' ' ARG . 58.0 t-20 -59.82 -39.68 85.9 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -59.84 -39.9 86.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.005 -1.059 . . . . 0.0 108.816 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.01 -40.02 87.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.955 -1.091 . . . . 0.0 109.284 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.433 ' O ' ' OG1' ' A' ' 43' ' ' THR . 30.7 p -59.93 -40.1 87.76 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.715 -1.241 . . . . 0.0 108.828 179.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.622 HH12 ' ND2' ' B' ' 82' ' ' ASN . 23.3 mtt-85 -62.6 -40.18 96.13 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.581 179.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.5 t -60.03 -41.82 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.608 -0.683 . . . . 0.0 109.273 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 40' ' ' THR . 70.6 p -59.98 -40.12 88.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.019 -1.05 . . . . 0.0 109.665 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.69 -40.04 84.4 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.35 -1.469 . . . . 0.0 108.559 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.409 HG22 HD11 ' A' ' 45' ' ' ILE . 87.3 mt -64.52 -39.99 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.709 -0.619 . . . . 0.0 110.284 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -39.82 87.02 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 -179.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.14 -48.62 80.97 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.595 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 51.6 m-85 -61.43 -39.94 92.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.393 -0.817 . . . . 0.0 109.957 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.462 ' C ' HD21 ' A' ' 74' ' ' ASN . 53.9 mt -60.03 -39.27 85.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.934 -1.104 . . . . 0.0 108.734 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.09 -39.88 87.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.075 -1.016 . . . . 0.0 108.551 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.96 -39.89 87.18 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.07 -1.019 . . . . 0.0 109.32 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.511 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.9 OUTLIER -59.98 -39.58 86.2 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.952 -1.093 . . . . 0.0 109.182 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.27 -37.49 77.77 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.982 -1.074 . . . . 0.0 108.733 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.98 -39.61 86.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.225 -0.922 . . . . 0.0 108.647 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 61.2 mt -73.57 112.56 9.77 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.012 -1.055 . . . . 0.0 109.079 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.573 HD21 ' H ' ' A' ' 70' ' ' VAL . 66.8 m-80 -134.0 -69.57 0.53 Allowed 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.465 -0.772 . . . . 0.0 109.428 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.61 88.04 1.47 Allowed 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.482 ' C ' ' H ' ' A' ' 60' ' ' ALA . 56.4 m95 -104.38 149.98 24.91 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.489 -0.757 . . . . 0.0 111.047 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.547 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 53.85 8.53 0.99 Allowed Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -72.73 22.94 0.06 Allowed 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.14 -1.212 . . . . 0.0 109.071 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.547 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.46 108.01 2.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.042 -1.036 . . . . 0.0 109.672 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -102.34 12.49 36.53 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.265 -0.897 . . . . 0.0 110.11 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.66 ' NE ' HH21 ' C' ' 63' ' ' ARG . 30.1 mmt180 -120.24 23.73 10.79 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 177.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.51 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -149.43 152.17 35.25 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.399 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.9 t -107.68 61.12 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.075 -1.016 . . . . 0.0 109.172 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.28 157.67 42.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.478 -0.764 . . . . 0.0 109.383 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -128.09 132.98 48.98 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.6 t -98.42 119.39 37.03 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.245 -0.909 . . . . 0.0 110.451 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.9 121.24 43.34 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.573 ' H ' HD21 ' A' ' 56' ' ' ASN . 65.3 t -126.84 83.28 65.91 Favored Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 121.427 -0.796 . . . . 0.0 109.35 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -79.84 65.73 8.86 Favored 'Trans proline' 0 N--CA 1.489 1.216 0 C-N-CA 122.301 2.001 . . . . 0.0 111.555 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -67.74 133.94 92.38 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -38.23 149.14 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.553 1.502 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.568 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 33.9 t-20 -127.61 -60.48 1.17 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.241 -0.912 . . . . 0.0 109.424 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.05 124.99 34.82 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.064 -1.023 . . . . 0.0 108.345 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.4 t -81.1 105.51 12.37 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.765 -1.209 . . . . 0.0 107.949 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.5 mt -82.18 136.57 35.1 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.477 0.656 . . . . 0.0 109.91 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 78' ' ' THR . 10.1 t -90.02 113.86 58.72 Favored Pre-proline 0 C--N 1.301 -1.512 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -90.27 -49.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 121.544 1.496 . . . . 0.0 114.487 -178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.412 ' NZ ' ' OE1' ' A' ' 84' ' ' GLU . 63.4 tttm -121.37 -44.7 2.36 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.235 -0.915 . . . . 0.0 113.206 -177.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.685 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.8 p90 -59.99 -53.67 55.09 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.449 -1.407 . . . . 0.0 112.407 -176.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.685 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 6.1 t-20 -79.06 -39.98 32.44 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.128 -1.608 . . . . 0.0 109.914 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.08 -47.32 86.39 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.253 -0.904 . . . . 0.0 109.108 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.412 ' OE1' ' NZ ' ' A' ' 80' ' ' LYS . 87.3 tt0 -60.21 -43.71 95.73 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.17 -0.956 . . . . 0.0 109.148 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.6 p -69.35 -40.02 77.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.182 -0.949 . . . . 0.0 109.645 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -61.91 -40.63 96.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.015 -1.053 . . . . 0.0 109.489 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.03 -41.11 91.51 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.917 -1.114 . . . . 0.0 108.039 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.79 -40.01 95.63 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.48 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 65.4 t90 -59.94 -50.02 75.41 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.198 -0.938 . . . . 0.0 109.3 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.49 -41.41 97.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.031 -1.043 . . . . 0.0 109.269 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -61.78 -42.02 98.46 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.407 -0.808 . . . . 0.0 110.337 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.02 -42.99 95.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.771 -1.206 . . . . 0.0 108.814 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.4 -40.66 88.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.343 -0.848 . . . . 0.0 109.19 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -60.0 -46.48 89.33 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.251 -0.906 . . . . 0.0 110.479 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -66.45 -40.02 89.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.806 -1.184 . . . . 0.0 109.681 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.32 -42.14 79.8 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.141 -0.974 . . . . 0.0 108.976 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.79 -45.47 94.27 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.272 -0.893 . . . . 0.0 109.369 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -64.36 -40.42 95.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.249 -0.907 . . . . 0.0 109.683 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.37 -41.19 96.83 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.1 -1.0 . . . . 0.0 109.444 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.45 -44.45 98.85 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.288 -0.882 . . . . 0.0 109.798 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.8 p -62.97 -40.16 96.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.148 -0.97 . . . . 0.0 109.464 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.7 80.61 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.205 -0.934 . . . . 0.0 109.787 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.51 -41.05 98.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.111 -0.993 . . . . 0.0 109.729 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.9 -43.43 98.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.179 -0.951 . . . . 0.0 109.448 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.25 -46.99 87.87 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.215 -0.928 . . . . 0.0 108.624 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -65.56 -39.94 92.27 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.382 -0.824 . . . . 0.0 108.915 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.57 93.99 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.324 -0.86 . . . . 0.0 109.53 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -62.29 -41.53 98.58 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.017 -1.052 . . . . 0.0 109.472 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -70.02 -40.35 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.067 -1.02 . . . . 0.0 109.283 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.422 ' OE1' ' OE1' ' C' ' 13' ' ' GLN . 32.1 tt0 -70.0 -39.99 75.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.911 . . . . 0.0 109.599 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.08 -49.28 78.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.147 -0.971 . . . . 0.0 109.076 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.23 -43.1 96.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.156 -0.965 . . . . 0.0 109.381 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -60.13 -42.01 93.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.167 -0.958 . . . . 0.0 109.441 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.25 -40.02 95.15 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.052 -1.03 . . . . 0.0 109.029 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.0 ttt -68.47 -40.0 81.17 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.239 -0.913 . . . . 0.0 108.833 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -60.01 -44.42 94.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.512 -0.742 . . . . 0.0 109.751 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.56 -40.23 93.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.123 -0.986 . . . . 0.0 109.127 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.51 -43.3 97.2 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.542 -0.724 . . . . 0.0 109.565 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.3 mt-30 -60.19 -40.13 88.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -0.918 . . . . 0.0 109.731 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -60.91 -40.03 91.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.31 -0.869 . . . . 0.0 109.411 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.9 mt -59.97 -48.34 82.1 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -119.41 56.81 0.92 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 117.923 -1.037 . . . . 0.0 108.889 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -69.64 144.61 52.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.513 -0.742 . . . . 0.0 109.402 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.9 p -89.49 59.42 4.77 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.288 -0.883 . . . . 0.0 109.227 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -63.47 -39.99 95.93 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.444 -0.785 . . . . 0.0 109.206 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.433 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 14.9 t -60.0 -43.81 94.97 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.332 -0.855 . . . . 0.0 109.549 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' B' ' 5' ' ' THR . 62.2 tp -62.51 -42.56 99.59 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.117 -0.989 . . . . 0.0 108.595 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 31.1 mt -60.59 -40.04 90.31 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.433 -0.792 . . . . 0.0 110.305 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.95 87.34 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.039 -1.038 . . . . 0.0 108.493 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.0 -45.32 57.47 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.039 -1.625 . . . . 0.0 109.039 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.02 -49.52 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.361 -1.082 . . . . 0.0 110.014 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 60.1 t -59.92 -42.7 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.96 -1.087 . . . . 0.0 108.541 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -61.14 -39.94 91.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.37 -0.831 . . . . 0.0 109.826 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.428 ' OE1' ' OE1' ' C' ' 110' ' ' GLN . 34.7 tp60 -60.05 -42.0 93.51 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 109.347 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.85 -40.71 96.27 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.098 -1.001 . . . . 0.0 109.124 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.1 -43.99 95.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.38 -0.825 . . . . 0.0 109.083 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.8 -42.49 97.72 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.223 -0.923 . . . . 0.0 108.941 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.9 mt -64.56 -40.25 95.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.297 -0.877 . . . . 0.0 109.782 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.9 -41.11 97.52 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.089 -1.007 . . . . 0.0 108.723 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.4 -50.07 75.06 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.22 -0.925 . . . . 0.0 109.909 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.91 -41.07 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.222 -0.924 . . . . 0.0 109.872 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.0 -43.48 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.152 -0.968 . . . . 0.0 109.211 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . 0.43 ' O ' ' OE1' ' B' ' 26' ' ' GLU . 86.5 tttt -60.76 -41.31 95.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.577 -0.702 . . . . 0.0 109.701 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -61.6 -39.93 93.0 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.408 -0.808 . . . . 0.0 109.983 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.05 -39.91 87.6 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.207 -0.933 . . . . 0.0 108.991 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -60.0 -50.02 75.38 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.17 -0.956 . . . . 0.0 109.577 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' B' ' 22' ' ' LYS . 2.6 mp0 -63.97 -41.83 97.42 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.764 -1.21 . . . . 0.0 109.342 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.9 tp -60.25 -40.46 90.37 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.353 -0.842 . . . . 0.0 109.106 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.01 -40.53 89.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.374 -0.829 . . . . 0.0 109.4 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.91 -39.99 91.47 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.149 -0.969 . . . . 0.0 109.516 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.45 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 85.1 mt -62.4 -40.8 97.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.071 -1.018 . . . . 0.0 109.458 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 74.1 p -63.97 -39.96 95.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.952 -1.092 . . . . 0.0 109.317 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.09 -40.11 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -0.833 . . . . 0.0 109.459 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -59.93 -47.47 85.67 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.327 -0.858 . . . . 0.0 110.516 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.52 -49.98 71.49 Favored Glycine 0 N--CA 1.487 2.06 0 C-N-CA 119.364 -1.398 . . . . 0.0 110.036 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.23 -50.32 74.11 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.912 -1.346 . . . . 0.0 109.859 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -60.8 -39.53 89.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.317 -0.864 . . . . 0.0 109.234 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.613 ' ND2' ' NH2' ' B' ' 41' ' ' ARG . 58.4 t-20 -60.0 -39.41 85.7 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.96 -39.93 87.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.041 -1.037 . . . . 0.0 109.023 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.96 -39.93 87.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.129 -0.982 . . . . 0.0 109.287 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' B' ' 43' ' ' THR . 30.9 p -60.03 -40.13 88.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.776 -1.202 . . . . 0.0 108.811 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.653 HH22 ' ND2' ' C' ' 82' ' ' ASN . 23.5 mtt-85 -62.53 -40.03 95.48 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.426 -0.91 . . . . 0.0 108.625 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 65.0 t -60.22 -41.79 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' B' ' 40' ' ' THR . 74.4 p -60.06 -40.04 88.06 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.035 -1.041 . . . . 0.0 109.56 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.87 -39.95 83.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.401 -1.437 . . . . 0.0 108.525 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.411 HD11 HG22 ' B' ' 45' ' ' ILE . 87.3 mt -64.63 -39.96 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.708 -0.62 . . . . 0.0 110.266 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -39.77 86.83 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.858 -1.152 . . . . 0.0 108.256 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.01 -48.49 81.47 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.255 -0.903 . . . . 0.0 108.791 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.582 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 52.3 m-85 -61.55 -39.96 92.99 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.314 -0.866 . . . . 0.0 109.845 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . 0.451 ' C ' HD21 ' B' ' 74' ' ' ASN . 52.9 mt -60.05 -39.28 85.42 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.012 -1.055 . . . . 0.0 108.862 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.04 -39.9 87.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.082 -1.011 . . . . 0.0 108.627 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.1 -39.82 87.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.056 -1.027 . . . . 0.0 109.232 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.501 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.9 OUTLIER -60.01 -39.69 86.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.97 -1.081 . . . . 0.0 109.139 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.24 -37.5 77.7 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.928 -1.107 . . . . 0.0 108.695 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.96 -39.78 86.77 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.198 -0.939 . . . . 0.0 108.617 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 60.9 mt -73.31 112.63 9.56 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.021 -1.049 . . . . 0.0 109.174 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . 0.575 HD21 ' H ' ' B' ' 70' ' ' VAL . 67.5 m-80 -134.08 -69.64 0.53 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.369 -0.832 . . . . 0.0 109.314 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.71 88.3 1.47 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' TRP . . . . . 0.493 ' C ' ' H ' ' B' ' 60' ' ' ALA . 56.2 m95 -104.56 150.06 24.96 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.503 -0.748 . . . . 0.0 110.945 -178.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.542 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 53.72 8.46 0.92 Allowed Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.493 ' H ' ' C ' ' B' ' 58' ' ' TRP . . . -72.37 23.16 0.05 Allowed 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.188 -1.183 . . . . 0.0 109.216 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.542 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.85 107.89 2.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.183 -0.948 . . . . 0.0 109.709 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -102.19 12.55 36.55 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.188 -0.945 . . . . 0.0 110.055 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.681 HH21 ' NE ' ' C' ' 63' ' ' ARG . 30.2 mmt180 -120.3 23.63 10.81 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . 0.515 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.38 152.18 35.33 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.498 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.6 t -107.57 60.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.13 -0.981 . . . . 0.0 109.106 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.24 157.55 42.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.301 -0.874 . . . . 0.0 109.423 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -127.8 133.03 49.43 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 4.7 t -98.4 119.43 37.08 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.203 -0.935 . . . . 0.0 110.426 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.09 121.18 43.02 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.575 ' H ' HD21 ' B' ' 56' ' ' ASN . 67.7 t -126.88 83.09 66.48 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.492 -0.755 . . . . 0.0 109.367 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.73 65.59 8.87 Favored 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.438 2.092 . . . . 0.0 111.627 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.42 ' O ' ' C ' ' B' ' 73' ' ' PRO . 28.2 t90 -67.59 133.7 92.69 Favored Pre-proline 0 C--N 1.301 -1.507 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.42 ' C ' ' O ' ' B' ' 72' ' ' TRP . 71.3 Cg_exo -38.11 149.08 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.604 1.536 . . . . 0.0 111.124 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.595 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 33.6 t30 -127.5 -60.72 1.17 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.244 -0.91 . . . . 0.0 109.386 -178.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.9 125.23 34.85 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.025 -1.047 . . . . 0.0 108.297 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 9.8 t -81.21 105.6 12.53 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 118.665 -1.214 . . . . 0.0 107.931 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 58.7 mt -82.5 136.52 34.86 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.525 0.678 . . . . 0.0 109.854 -178.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' B' ' 78' ' ' THR . 10.2 t -89.78 113.76 58.12 Favored Pre-proline 0 C--N 1.302 -1.496 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -90.28 -49.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.529 1.486 . . . . 0.0 114.626 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . 0.413 ' NZ ' ' OE1' ' B' ' 84' ' ' GLU . 63.6 tttm -121.4 -44.81 2.35 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.122 -0.986 . . . . 0.0 113.17 -177.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.678 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.7 p90 -59.94 -53.75 54.14 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.479 -1.388 . . . . 0.0 112.454 -176.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.678 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 6.1 t-20 -79.03 -39.84 32.95 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 119.99 -1.693 . . . . 0.0 109.899 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.0 -47.21 86.78 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.245 -0.909 . . . . 0.0 109.335 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . 0.413 ' OE1' ' NZ ' ' B' ' 80' ' ' LYS . 87.4 tt0 -60.36 -43.7 96.27 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.105 -0.997 . . . . 0.0 109.114 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 76.1 p -69.4 -40.0 77.6 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.217 -0.927 . . . . 0.0 109.628 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -62.02 -40.63 96.35 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.918 -1.114 . . . . 0.0 109.362 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.1 -40.98 91.53 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 118.894 -1.122 . . . . 0.0 108.19 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -63.76 -40.02 95.68 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.509 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 65.7 t90 -59.95 -50.04 75.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.172 -0.955 . . . . 0.0 109.196 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.75 -41.32 97.52 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.092 -1.005 . . . . 0.0 109.138 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -61.58 -42.27 98.61 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.411 -0.805 . . . . 0.0 110.281 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.96 -42.7 94.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.772 -1.205 . . . . 0.0 108.861 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.77 -40.5 88.86 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 121.301 -0.874 . . . . 0.0 109.206 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -59.96 -46.66 88.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.252 -0.905 . . . . 0.0 110.412 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -66.2 -40.26 90.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.908 -1.12 . . . . 0.0 109.587 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.96 -42.33 81.07 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.087 -1.008 . . . . 0.0 108.974 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.72 -45.91 92.43 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.219 -0.925 . . . . 0.0 109.3 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.85 -40.76 97.33 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.168 -0.957 . . . . 0.0 109.744 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.17 -41.12 97.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.084 -1.01 . . . . 0.0 109.466 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.49 -44.58 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.239 -0.913 . . . . 0.0 109.734 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 29.6 p -62.8 -40.49 97.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.043 -1.035 . . . . 0.0 109.462 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.95 -48.62 80.94 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.128 -0.983 . . . . 0.0 109.889 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.54 -41.14 98.47 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.019 -1.051 . . . . 0.0 109.649 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.85 -43.92 97.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.079 -1.013 . . . . 0.0 109.284 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.97 -46.55 89.07 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.009 -1.057 . . . . 0.0 108.75 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.66 -40.0 91.98 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.404 -0.81 . . . . 0.0 109.002 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.42 -44.69 93.85 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.36 -0.838 . . . . 0.0 109.51 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.22 -41.62 98.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.063 -1.023 . . . . 0.0 109.561 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . 0.42 HG22 HD11 ' B' ' 109' ' ' ILE . 97.2 mt -70.0 -40.53 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.025 -1.047 . . . . 0.0 109.235 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -69.67 -40.0 76.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.385 -0.822 . . . . 0.0 109.508 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -59.96 -49.76 76.42 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.129 -0.982 . . . . 0.0 109.085 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.91 -43.23 94.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.119 -0.988 . . . . 0.0 109.515 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -60.06 -41.59 92.71 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.248 -0.908 . . . . 0.0 109.528 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.7 -40.0 94.62 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.203 -0.936 . . . . 0.0 108.884 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 26.9 ttt -68.43 -39.97 81.35 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.32 -0.862 . . . . 0.0 108.768 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -60.06 -44.31 94.79 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.366 -0.834 . . . . 0.0 109.848 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.67 -40.22 94.2 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.074 -1.016 . . . . 0.0 109.074 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.54 -43.1 97.58 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.361 -0.837 . . . . 0.0 109.467 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.4 mt-30 -60.51 -40.07 90.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.236 -0.915 . . . . 0.0 109.723 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -60.65 -40.04 90.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.284 -0.885 . . . . 0.0 109.333 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.94 -48.49 81.5 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -119.41 56.91 0.91 Allowed 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.502 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.778 0 O-C-N 121.034 -1.041 . . . . 0.0 108.787 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -69.77 144.62 52.64 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.35 -0.844 . . . . 0.0 109.397 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 51.3 p -89.48 59.52 4.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.332 -0.855 . . . . 0.0 109.343 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -63.64 -39.99 95.75 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.418 -0.801 . . . . 0.0 109.113 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' THR . . . . . 0.426 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 14.9 t -60.03 -43.47 95.28 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.379 -0.825 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . 0.426 ' N ' ' CG2' ' C' ' 5' ' ' THR . 61.6 tp -62.88 -41.99 99.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.064 -1.022 . . . . 0.0 108.676 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.6 mt -61.09 -39.96 91.9 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.481 -0.762 . . . . 0.0 110.163 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.1 87.79 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.96 -1.088 . . . . 0.0 108.622 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.58 -45.61 58.57 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.06 -49.39 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.36 -1.082 . . . . 0.0 109.952 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.0 -42.74 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.837 -1.164 . . . . 0.0 108.58 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -61.16 -39.9 91.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.482 -0.761 . . . . 0.0 109.908 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . 0.422 ' OE1' ' OE1' ' A' ' 110' ' ' GLN . 34.6 tp60 -60.0 -42.0 93.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.341 -0.849 . . . . 0.0 109.397 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.77 -40.89 96.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.099 -1.001 . . . . 0.0 109.193 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.09 -43.61 95.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.405 -0.809 . . . . 0.0 109.141 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.92 -42.33 97.89 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.189 -0.944 . . . . 0.0 109.043 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.84 -40.25 94.86 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.296 -0.878 . . . . 0.0 109.654 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.8 -41.7 98.08 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.908 -1.12 . . . . 0.0 108.61 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.05 -50.03 75.31 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.282 -0.886 . . . . 0.0 109.974 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 69.7 t -59.99 -41.03 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.187 -0.946 . . . . 0.0 109.785 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -43.61 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.296 -0.878 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . 0.428 ' O ' ' OE1' ' C' ' 26' ' ' GLU . 86.6 tttt -60.61 -41.81 95.54 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.533 -0.729 . . . . 0.0 109.608 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 55.5 mtt-85 -61.06 -40.03 92.12 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.324 -0.86 . . . . 0.0 109.921 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.95 -40.07 87.72 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.185 -0.947 . . . . 0.0 108.967 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -59.94 -50.06 75.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.121 -0.987 . . . . 0.0 109.713 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' C' ' 22' ' ' LYS . 2.8 mp0 -63.91 -41.5 97.66 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.744 -1.222 . . . . 0.0 109.439 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 31.0 tp -60.67 -40.14 91.01 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.365 -0.835 . . . . 0.0 109.048 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.25 -40.61 90.9 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.392 -0.818 . . . . 0.0 109.326 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.93 -39.94 91.35 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.28 -0.887 . . . . 0.0 109.431 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.48 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 84.9 mt -62.66 -40.45 97.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.269 -0.894 . . . . 0.0 109.507 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.0 p -64.01 -39.98 95.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.104 -0.997 . . . . 0.0 109.213 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.11 -40.1 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.334 -0.854 . . . . 0.0 109.414 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -59.99 -47.5 85.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.381 -0.824 . . . . 0.0 110.514 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.22 -50.38 66.92 Favored Glycine 0 N--CA 1.486 2.029 0 C-N-CA 119.369 -1.396 . . . . 0.0 110.082 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.17 -50.0 75.41 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.074 -1.25 . . . . 0.0 109.917 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -61.08 -39.61 90.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.365 -0.835 . . . . 0.0 109.061 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.605 HD22 HH22 ' C' ' 41' ' ' ARG . 58.0 t-20 -59.9 -39.69 86.23 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -59.89 -39.82 86.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.095 -1.003 . . . . 0.0 108.936 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.03 -39.95 87.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.0 109.159 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.43 ' O ' ' OG1' ' C' ' 43' ' ' THR . 31.0 p -59.94 -40.3 88.49 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.808 -1.182 . . . . 0.0 108.99 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.634 HH12 ' ND2' ' A' ' 82' ' ' ASN . 23.5 mtt-85 -62.35 -40.01 94.97 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.147 -0.971 . . . . 0.0 108.53 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 64.0 t -60.23 -41.59 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.654 -0.654 . . . . 0.0 109.337 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' C' ' 40' ' ' THR . 72.2 p -60.24 -39.91 88.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.068 -1.02 . . . . 0.0 109.654 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.95 -40.02 83.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.468 -1.395 . . . . 0.0 108.338 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.53 -39.95 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.684 -0.635 . . . . 0.0 110.332 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -39.78 87.18 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.964 -1.085 . . . . 0.0 108.217 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.96 -48.41 81.83 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.195 -0.94 . . . . 0.0 108.775 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.568 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 51.6 m-85 -61.71 -39.98 93.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.36 -0.837 . . . . 0.0 109.838 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . 0.461 ' C ' HD21 ' C' ' 74' ' ' ASN . 53.4 mt -60.01 -39.21 85.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.955 -1.09 . . . . 0.0 108.809 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.04 -39.96 87.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.102 -0.998 . . . . 0.0 108.522 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.05 -39.89 87.57 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.163 -0.96 . . . . 0.0 109.206 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.503 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.9 OUTLIER -60.03 -39.5 86.11 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.012 -1.055 . . . . 0.0 109.13 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.32 -37.4 77.69 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.833 -1.167 . . . . 0.0 108.736 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.98 -39.62 86.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.303 -0.873 . . . . 0.0 108.76 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 62.3 mt -73.51 112.68 9.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.032 -1.043 . . . . 0.0 108.989 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . 0.566 HD21 ' H ' ' C' ' 70' ' ' VAL . 67.4 m-80 -134.18 -69.74 0.52 Allowed 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.259 -0.901 . . . . 0.0 109.18 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.58 88.14 1.47 Allowed 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 58' ' ' TRP . . . . . 0.476 ' C ' ' H ' ' C' ' 60' ' ' ALA . 57.4 m95 -104.24 149.82 24.96 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.472 -0.768 . . . . 0.0 111.019 -178.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . 0.541 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 53.98 8.46 1.03 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 178.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -72.61 22.64 0.06 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.263 -1.14 . . . . 0.0 109.15 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 61' ' ' ALA . . . . . 0.541 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.19 108.15 2.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.094 -1.004 . . . . 0.0 109.71 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -102.35 12.54 36.44 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.271 -0.893 . . . . 0.0 110.232 179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . 0.681 ' NE ' HH21 ' B' ' 63' ' ' ARG . 30.3 mmt180 -120.29 23.65 10.81 Favored 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 177.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . 0.499 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -149.38 152.18 35.34 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.483 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 t -107.51 61.03 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.104 -0.997 . . . . 0.0 109.152 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.15 157.75 43.1 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.411 -0.805 . . . . 0.0 109.402 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -128.05 133.03 49.04 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 4.6 t -98.43 119.45 37.15 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.237 -0.914 . . . . 0.0 110.355 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.13 121.06 42.62 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.566 ' H ' HD21 ' C' ' 56' ' ' ASN . 67.7 t -126.81 83.05 66.36 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.378 -0.826 . . . . 0.0 109.384 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.61 65.59 8.86 Favored 'Trans proline' 0 N--CA 1.489 1.262 0 C-N-CA 122.43 2.087 . . . . 0.0 111.655 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.429 ' O ' ' C ' ' C' ' 73' ' ' PRO . 27.3 t90 -67.59 133.8 92.69 Favored Pre-proline 0 C--N 1.301 -1.541 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.429 ' C ' ' O ' ' C' ' 72' ' ' TRP . 70.7 Cg_exo -38.15 149.27 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 121.462 1.441 . . . . 0.0 111.116 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.582 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 34.1 t30 -127.51 -60.83 1.16 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.274 -0.891 . . . . 0.0 109.476 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.89 125.29 34.87 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.0 t -81.39 105.58 12.68 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.016 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 58.5 mt -82.22 136.48 35.08 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.599 0.714 . . . . 0.0 109.864 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.449 ' O ' ' CG2' ' C' ' 78' ' ' THR . 10.2 t -89.98 114.11 59.61 Favored Pre-proline 0 C--N 1.301 -1.506 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.36 -49.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.106 0 C-N-CA 121.781 1.654 . . . . 0.0 114.642 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . 0.405 ' NZ ' ' OE1' ' C' ' 84' ' ' GLU . 63.4 tttm -121.66 -44.65 2.33 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.353 -0.842 . . . . 0.0 113.158 -176.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.685 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.7 p90 -59.91 -54.14 49.6 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.472 -1.392 . . . . 0.0 112.347 -176.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.685 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 6.1 t-20 -78.8 -39.94 34.36 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.022 -1.674 . . . . 0.0 109.939 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.04 -47.21 86.78 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.235 -0.916 . . . . 0.0 109.234 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . 0.405 ' OE1' ' NZ ' ' C' ' 80' ' ' LYS . 87.2 tt0 -60.5 -43.61 96.85 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.032 -1.043 . . . . 0.0 109.078 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 77.0 p -69.3 -40.07 77.9 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.148 -0.97 . . . . 0.0 109.59 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -61.99 -40.89 97.18 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.051 -1.031 . . . . 0.0 109.474 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.0 -40.94 90.91 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -63.64 -39.99 95.74 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.45 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 65.9 t90 -60.04 -50.01 75.41 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 0.0 109.288 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.71 -41.19 97.28 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.916 -1.115 . . . . 0.0 109.364 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -61.84 -41.94 98.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.581 -0.699 . . . . 0.0 110.283 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.06 -43.17 95.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.717 -1.239 . . . . 0.0 108.768 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.28 -40.51 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.389 -0.819 . . . . 0.0 109.27 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -60.02 -46.94 87.85 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.21 -0.931 . . . . 0.0 110.363 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -66.05 -40.18 90.74 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.852 -1.155 . . . . 0.0 109.674 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 92.0 mt -68.18 -42.24 80.27 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.349 -0.94 . . . . 0.0 108.906 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.79 -45.79 93.01 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.231 -0.918 . . . . 0.0 109.399 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.0 -40.67 96.88 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.225 -0.922 . . . . 0.0 109.702 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.94 -41.45 97.6 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.174 -0.953 . . . . 0.0 109.465 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.39 -44.38 98.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 121.323 -0.861 . . . . 0.0 109.804 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 27.2 p -63.11 -40.25 97.07 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.003 -1.06 . . . . 0.0 109.413 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.89 79.84 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.244 -0.91 . . . . 0.0 109.752 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.31 -41.23 98.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.051 -1.03 . . . . 0.0 109.693 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.82 -43.91 97.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.082 -1.011 . . . . 0.0 109.372 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.98 -46.82 88.21 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.04 -1.038 . . . . 0.0 108.676 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.59 -39.96 92.18 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.317 -0.865 . . . . 0.0 109.03 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.77 94.28 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.258 -0.901 . . . . 0.0 109.559 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.12 -41.62 98.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.996 -1.065 . . . . 0.0 109.624 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . 0.418 HD11 HG22 ' C' ' 109' ' ' ILE . 97.2 mt -70.02 -40.32 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.259 -0.901 . . . . 0.0 109.367 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . 0.428 ' OE1' ' OE1' ' B' ' 13' ' ' GLN . 32.3 tt0 -69.9 -39.98 75.9 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.364 -0.835 . . . . 0.0 109.558 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -60.14 -49.38 77.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -0.914 . . . . 0.0 109.066 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.18 -43.39 95.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.128 -0.983 . . . . 0.0 109.321 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -59.96 -41.69 92.46 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.228 -0.92 . . . . 0.0 109.474 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.51 -40.12 95.05 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.034 -1.041 . . . . 0.0 108.91 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.0 ttt -68.45 -39.97 81.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.301 -0.875 . . . . 0.0 108.737 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -59.98 -44.58 94.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.342 -0.849 . . . . 0.0 109.711 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.32 -40.2 93.35 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.087 -1.008 . . . . 0.0 109.17 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.67 -42.91 98.03 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.333 -0.855 . . . . 0.0 109.618 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.4 mt-30 -60.55 -40.69 92.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.873 . . . . 0.0 109.54 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -60.02 -40.02 87.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.25 -0.906 . . . . 0.0 109.695 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.98 -48.4 81.86 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -119.53 57.03 0.92 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.51 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 O-C-N 121.031 -1.043 . . . . 0.0 108.888 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.192 0.52 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 96.5 mt-30 -73.77 144.44 45.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.151 -0.968 . . . . 0.0 109.312 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -90.03 59.41 4.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.175 -0.953 . . . . 0.0 109.518 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -64.83 -39.91 94.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.331 -0.856 . . . . 0.0 109.31 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 t -60.06 -41.21 91.87 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.257 -0.902 . . . . 0.0 109.288 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.85 -42.68 98.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.194 -0.941 . . . . 0.0 108.598 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.12 -40.01 88.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.324 -0.86 . . . . 0.0 109.336 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.85 90.43 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.224 -0.922 . . . . 0.0 108.525 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.0 -48.59 69.32 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 108.781 -1.728 . . . . 0.0 108.781 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -48.74 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.446 -1.032 . . . . 0.0 109.879 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.98 -46.44 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.169 -0.957 . . . . 0.0 109.285 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.29 -39.89 88.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.139 -0.976 . . . . 0.0 109.532 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -60.02 -41.77 92.92 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.102 -0.999 . . . . 0.0 109.389 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -60.44 -40.09 89.84 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.936 -1.102 . . . . 0.0 109.153 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -60.0 -46.3 89.93 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.243 -0.911 . . . . 0.0 109.248 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.1 -44.24 94.99 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.095 -1.003 . . . . 0.0 109.427 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.55 -41.86 97.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.215 -0.928 . . . . 0.0 109.603 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.98 -46.0 90.88 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.302 -0.873 . . . . 0.0 109.126 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.93 -48.79 80.25 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.269 -0.895 . . . . 0.0 109.739 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 68.7 t -59.99 -41.71 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.081 -1.012 . . . . 0.0 109.087 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.99 -49.83 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.164 -0.96 . . . . 0.0 108.713 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.62 -40.38 94.61 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.259 -0.9 . . . . 0.0 108.782 178.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.548 ' NE ' ' OD1' ' B' ' 99' ' ' ASN . 34.4 ttm-85 -60.04 -40.0 87.84 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -59.94 -39.12 84.46 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.22 -0.925 . . . . 0.0 108.695 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.02 -47.38 86.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.088 -1.008 . . . . 0.0 109.182 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -62.02 -41.3 97.94 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.595 -1.315 . . . . 0.0 109.311 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.27 -41.03 92.43 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.158 -0.964 . . . . 0.0 109.192 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.96 -39.94 87.33 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.519 -0.738 . . . . 0.0 109.208 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.438 ' HG2' HH11 ' A' ' 29' ' ' ARG . 39.2 mtt-85 -60.1 -40.03 88.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.022 -1.049 . . . . 0.0 108.909 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.411 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 91.8 mt -60.72 -41.85 96.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.047 -1.033 . . . . 0.0 109.523 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.0 p -62.82 -39.92 95.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.919 -1.113 . . . . 0.0 109.268 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.23 -40.06 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -60.04 -42.85 95.33 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.37 -0.831 . . . . 0.0 110.47 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -47.58 90.34 Favored Glycine 0 N--CA 1.487 2.04 0 C-N-CA 119.545 -1.312 . . . . 0.0 109.845 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.3 m -60.07 -50.0 75.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.108 -1.231 . . . . 0.0 109.885 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.519 ' CB ' ' HZ1' ' A' ' 36' ' ' LYS . 8.2 mtmp? -60.54 -40.0 89.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.05 -1.031 . . . . 0.0 110.103 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.753 HD22 HH21 ' A' ' 41' ' ' ARG . 41.0 t30 -60.01 -40.21 88.47 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.106 -0.996 . . . . 0.0 109.577 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.29 -40.14 93.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.877 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.99 -41.87 92.99 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.061 -1.024 . . . . 0.0 109.551 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.449 ' O ' ' OG1' ' A' ' 43' ' ' THR . 62.2 p -60.61 -40.09 90.56 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.062 -1.024 . . . . 0.0 108.92 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.753 HH21 HD22 ' A' ' 37' ' ' ASN . 26.5 mtt-85 -69.12 -40.01 78.57 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.96 -41.0 84.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.414 -0.804 . . . . 0.0 109.042 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 40' ' ' THR . 44.1 p -59.95 -40.05 87.66 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.053 -1.029 . . . . 0.0 109.396 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.29 -43.1 96.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.114 -0.991 . . . . 0.0 108.79 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.89 -37.86 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.555 -0.716 . . . . 0.0 109.422 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.87 -40.16 87.7 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.08 -1.013 . . . . 0.0 108.461 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.67 -46.32 90.78 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.445 -0.784 . . . . 0.0 109.164 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 38.1 m-85 -59.97 -40.04 87.69 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.493 -0.754 . . . . 0.0 110.065 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.04 -39.81 87.21 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.99 -1.069 . . . . 0.0 108.999 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -59.91 -39.9 87.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.982 -1.074 . . . . 0.0 108.688 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.0 -38.63 83.19 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.605 ' NE2' HD22 ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.9 -40.01 87.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 108.912 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.02 78.65 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.861 -1.149 . . . . 0.0 108.353 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.451 -0.78 . . . . 0.0 109.578 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.0 mt -70.66 117.52 12.29 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.122 -0.986 . . . . 0.0 108.767 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 70' ' ' VAL . 24.7 m120 -133.13 -60.61 0.85 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.311 -0.868 . . . . 0.0 110.768 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.403 ' HB1' ' H ' ' C' ' 58' ' ' TRP . . . -153.52 116.14 4.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.105 -0.997 . . . . 0.0 110.382 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . 0.403 ' H ' ' HB1' ' B' ' 57' ' ' ALA . 92.1 m95 -101.62 124.35 47.12 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.523 -0.736 . . . . 0.0 110.351 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.16 24.22 73.29 Favored Glycine 0 N--CA 1.492 2.414 0 C-N-CA 120.072 -1.061 . . . . 0.0 110.949 178.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.36 22.7 0.16 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.715 -1.462 . . . . 0.0 109.447 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.467 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.57 112.0 1.89 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.178 -0.952 . . . . 0.0 109.75 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -108.64 12.95 25.52 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.343 -0.848 . . . . 0.0 109.932 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.471 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 69.3 mtm180 -135.74 24.35 3.38 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.221 -0.925 . . . . 0.0 108.631 177.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.544 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -148.26 151.88 36.19 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.348 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -102.85 59.06 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.124 -0.985 . . . . 0.0 108.413 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.54 157.37 42.93 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.423 -0.798 . . . . 0.0 109.528 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -129.47 134.0 47.58 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.1 t -88.69 115.01 25.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.723 -1.236 . . . . 0.0 109.37 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.8 t -110.9 120.61 42.95 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.457 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 89.4 t -122.93 83.35 50.25 Favored Pre-proline 0 N--CA 1.495 1.779 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -86.39 61.71 4.71 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.786 2.324 . . . . 0.0 111.642 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' A' ' 73' ' ' PRO . 27.3 t90 -70.05 130.76 89.48 Favored Pre-proline 0 N--CA 1.488 1.464 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' TRP . 91.4 Cg_exo -40.61 148.5 0.19 Allowed 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 121.32 1.347 . . . . 0.0 110.765 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.611 HD22 ' NE2' ' C' ' 52' ' ' GLN . 1.9 t-20 -131.21 -38.65 1.2 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.205 -0.934 . . . . 0.0 109.225 -178.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.32 124.88 39.58 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.3 t -83.94 105.31 14.72 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.8 mt -83.2 134.75 34.95 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.651 0.738 . . . . 0.0 109.963 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.401 ' OG1' ' CB ' ' A' ' 82' ' ' ASN . 6.5 t -94.84 113.03 60.29 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.592 -0.692 . . . . 0.0 109.625 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -89.29 -48.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.219 0 C-N-CA 121.712 1.608 . . . . 0.0 113.584 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -122.29 -44.01 2.28 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.645 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.0 p90 -59.47 -49.88 76.09 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.411 -1.431 . . . . 0.0 112.911 -175.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.645 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 45.4 t30 -71.78 -42.72 66.79 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 119.867 -1.771 . . . . 0.0 109.943 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -60.03 -49.93 75.72 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.204 -0.935 . . . . 0.0 110.547 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.58 -43.12 99.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.81 -1.181 . . . . 0.0 109.936 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.475 ' HG1' ' N ' ' A' ' 86' ' ' TRP . 76.8 p -69.71 -40.05 76.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 109.277 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.475 ' N ' ' HG1' ' A' ' 85' ' ' THR . 46.3 t-105 -68.0 -38.84 83.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.155 -0.966 . . . . 0.0 108.979 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -60.04 -39.98 87.81 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.237 -0.914 . . . . 0.0 108.694 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.77 -40.05 96.09 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.887 -1.133 . . . . 0.0 109.123 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.423 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 62.4 t90 -60.0 -49.97 75.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.203 -0.936 . . . . 0.0 111.045 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -67.23 -39.83 86.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.505 -1.372 . . . . 0.0 109.201 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.01 -41.19 91.59 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.233 -0.917 . . . . 0.0 110.059 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -60.06 -44.84 94.44 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.703 -1.248 . . . . 0.0 108.322 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.52 -40.1 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.29 -0.881 . . . . 0.0 109.071 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.03 -42.74 95.04 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.419 -0.8 . . . . 0.0 110.394 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -69.7 -40.0 76.57 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.858 -1.151 . . . . 0.0 109.095 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 68.6 mt -67.0 -40.03 87.23 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.186 -0.946 . . . . 0.0 108.877 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.42 ' OE2' ' NH2' ' A' ' 29' ' ' ARG . 88.9 tt0 -59.97 -46.54 89.1 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.343 -0.848 . . . . 0.0 109.49 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.04 -44.49 94.62 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.114 -0.991 . . . . 0.0 109.314 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.542 ' OD1' ' NE ' ' C' ' 23' ' ' ARG . 14.5 t-20 -62.26 -42.28 99.19 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.196 -0.94 . . . . 0.0 109.62 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.406 HD11 HG22 ' A' ' 100' ' ' ILE . 92.1 mt -60.08 -46.68 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.026 -1.046 . . . . 0.0 109.034 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.8 p -61.36 -39.96 92.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.165 -0.959 . . . . 0.0 109.621 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.02 -46.57 89.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.156 -0.965 . . . . 0.0 109.579 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.2 mt -67.44 -39.97 85.41 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.983 -1.073 . . . . 0.0 108.903 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.55 -43.47 93.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.139 -0.976 . . . . 0.0 109.32 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.2 -43.49 95.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.243 -0.911 . . . . 0.0 109.269 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -68.77 -39.99 79.96 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.188 -0.945 . . . . 0.0 108.78 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.15 -44.45 97.31 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.422 -0.799 . . . . 0.0 109.599 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -60.03 -48.83 80.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.074 -1.016 . . . . 0.0 109.042 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.01 -50.04 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.311 -0.868 . . . . 0.0 109.447 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -64.68 -40.93 96.25 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.046 -1.034 . . . . 0.0 109.7 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -60.01 -49.4 77.83 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.196 -0.94 . . . . 0.0 109.838 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -62.72 -41.99 99.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.194 -0.942 . . . . 0.0 110.034 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -63.13 -39.99 96.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.066 -1.021 . . . . 0.0 109.894 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -63.76 -42.34 97.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.986 -1.071 . . . . 0.0 109.479 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 26.9 ttt -69.79 -40.06 76.21 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.102 -0.998 . . . . 0.0 108.684 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -60.04 -49.78 76.33 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.543 -0.723 . . . . 0.0 109.217 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.303 -0.873 . . . . 0.0 109.382 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.0 -41.51 92.27 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.243 -0.911 . . . . 0.0 109.273 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.6 mt-30 -60.78 -40.01 91.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.185 -0.947 . . . . 0.0 109.691 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -59.98 -39.16 84.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.15 -0.969 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.97 -46.82 88.2 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -126.44 61.55 1.3 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.618 -0.676 . . . . 0.0 109.435 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.494 1.772 0 O-C-N 121.064 -1.022 . . . . 0.0 109.22 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . 0.41 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.196 0.522 . . . . 0.0 109.629 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -73.89 144.35 45.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.207 -0.933 . . . . 0.0 109.382 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -90.0 59.35 4.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.167 -0.958 . . . . 0.0 109.408 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -64.62 -40.07 94.82 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.399 -0.813 . . . . 0.0 109.395 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t -59.96 -40.95 90.81 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.23 -0.919 . . . . 0.0 109.437 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.3 tp -61.22 -42.43 98.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 108.7 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.08 -40.07 88.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.409 -0.807 . . . . 0.0 109.235 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.78 89.94 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.145 -0.972 . . . . 0.0 108.597 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.2 -48.58 68.53 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 178.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.07 -48.6 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.4 -1.059 . . . . 0.0 109.887 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.99 -46.42 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.175 -0.953 . . . . 0.0 109.392 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.26 -39.96 88.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.109 -0.995 . . . . 0.0 109.578 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -60.02 -41.72 92.77 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.07 -1.019 . . . . 0.0 109.314 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.57 -40.01 90.1 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.947 -1.096 . . . . 0.0 109.085 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.98 -46.34 89.76 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.263 -0.898 . . . . 0.0 109.178 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.06 -44.33 94.8 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.181 -0.949 . . . . 0.0 109.405 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.55 -41.84 97.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.257 -0.902 . . . . 0.0 109.567 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.05 -45.81 91.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.286 -0.884 . . . . 0.0 109.038 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -60.0 -48.85 80.02 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -0.936 . . . . 0.0 109.733 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 68.7 t -59.99 -41.66 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.04 -1.038 . . . . 0.0 109.048 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.94 -49.71 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.128 -0.982 . . . . 0.0 108.824 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -61.83 -40.34 94.94 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.248 -0.907 . . . . 0.0 108.714 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.531 ' NE ' ' OD1' ' C' ' 99' ' ' ASN . 34.1 ttm-85 -60.01 -40.01 87.77 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.697 -0.627 . . . . 0.0 109.311 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.05 -38.93 84.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.12 -0.987 . . . . 0.0 108.722 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.03 -47.27 86.55 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.022 -1.049 . . . . 0.0 109.252 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -62.28 -41.02 98.14 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.702 -1.249 . . . . 0.0 109.254 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.7 tp -60.57 -40.93 93.5 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.291 -0.88 . . . . 0.0 109.143 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.08 -39.94 87.81 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.565 -0.71 . . . . 0.0 109.177 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.44 ' HG2' HH11 ' B' ' 29' ' ' ARG . 39.4 mtt-85 -60.05 -40.34 89.08 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.125 -0.984 . . . . 0.0 108.847 -179.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.438 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 93.7 mt -60.33 -41.66 94.0 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.039 -1.038 . . . . 0.0 109.52 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 77.8 p -63.06 -40.17 96.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.904 -1.123 . . . . 0.0 109.139 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.84 -40.0 83.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.546 -0.721 . . . . 0.0 109.123 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -60.08 -43.22 95.63 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.313 -0.867 . . . . 0.0 110.356 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.4 -47.86 88.82 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.881 -1.288 . . . . 0.0 109.881 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 87.2 m -60.0 -50.03 75.36 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.065 -1.256 . . . . 0.0 109.916 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . 0.523 ' HZ1' ' CB ' ' B' ' 36' ' ' LYS . 8.3 mtmp? -60.52 -40.07 90.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.073 -1.017 . . . . 0.0 110.037 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.721 HD22 HH21 ' B' ' 41' ' ' ARG . 41.4 t30 -59.95 -40.48 89.17 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.12 -0.988 . . . . 0.0 109.483 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.02 -40.21 92.72 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.088 -1.007 . . . . 0.0 109.846 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.99 -42.01 93.3 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.107 -0.995 . . . . 0.0 109.59 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' B' ' 43' ' ' THR . 62.3 p -60.58 -40.08 90.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.098 -1.001 . . . . 0.0 108.949 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.721 HH21 HD22 ' B' ' 37' ' ' ASN . 27.2 mtt-85 -69.14 -40.0 78.5 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.0 -40.97 84.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.349 -0.845 . . . . 0.0 108.977 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 40' ' ' THR . 43.1 p -60.06 -40.07 88.18 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.063 -1.023 . . . . 0.0 109.218 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.07 96.13 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.138 -0.976 . . . . 0.0 109.015 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . 0.405 HG22 HD11 ' B' ' 45' ' ' ILE . 81.8 mt -60.88 -37.81 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.567 -0.708 . . . . 0.0 109.3 179.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.02 -40.09 88.12 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.077 -1.014 . . . . 0.0 108.374 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.75 -46.27 91.08 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.347 -0.846 . . . . 0.0 109.018 178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.527 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 37.9 m-85 -59.95 -40.04 87.64 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.439 -0.788 . . . . 0.0 110.029 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.02 -39.66 86.62 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.986 -1.071 . . . . 0.0 109.112 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -60.06 -39.9 87.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.921 -1.112 . . . . 0.0 108.723 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.95 -38.75 83.33 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.585 ' NE2' HD22 ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.87 -40.06 87.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.295 -0.878 . . . . 0.0 108.94 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.21 78.73 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.857 -1.152 . . . . 0.0 108.239 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -59.96 -40.06 87.73 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.415 -0.803 . . . . 0.0 109.61 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 77.4 mt -70.46 117.85 12.52 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.054 -1.029 . . . . 0.0 108.743 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' B' ' 70' ' ' VAL . 24.9 m120 -133.49 -60.34 0.84 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.439 -0.788 . . . . 0.0 110.775 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . 0.403 ' HB1' ' H ' ' A' ' 58' ' ' TRP . . . -153.71 115.88 4.33 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.131 -0.981 . . . . 0.0 110.3 -178.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' TRP . . . . . 0.4 ' H ' ' HB1' ' C' ' 57' ' ' ALA . 92.3 m95 -101.6 124.27 46.98 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.516 -0.74 . . . . 0.0 110.367 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.475 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.12 24.42 73.28 Favored Glycine 0 N--CA 1.493 2.471 0 C-N-CA 120.14 -1.029 . . . . 0.0 110.886 178.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.59 22.91 0.17 Allowed 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.787 -1.419 . . . . 0.0 109.399 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.54 112.02 1.9 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.21 -0.931 . . . . 0.0 109.684 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -108.61 12.52 25.87 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.258 -0.901 . . . . 0.0 109.957 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.478 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 69.0 mtm180 -135.6 24.37 3.42 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.272 -0.893 . . . . 0.0 108.727 178.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . 0.546 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -148.15 151.95 36.46 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.266 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.4 t -103.02 59.27 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.64 157.62 43.19 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.548 -0.72 . . . . 0.0 109.475 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -129.77 133.84 47.23 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 6.1 t -88.57 115.06 25.82 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.783 -1.198 . . . . 0.0 109.405 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 8.8 t -110.88 120.77 43.5 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.465 ' N ' ' OD1' ' B' ' 56' ' ' ASN . 90.3 t -123.05 83.42 50.91 Favored Pre-proline 0 N--CA 1.496 1.834 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -86.38 61.71 4.72 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.862 2.375 . . . . 0.0 111.606 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.405 ' O ' ' C ' ' B' ' 73' ' ' PRO . 26.7 t90 -70.07 130.93 89.27 Favored Pre-proline 0 N--CA 1.489 1.488 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.405 ' C ' ' O ' ' B' ' 72' ' ' TRP . 93.3 Cg_exo -40.61 148.27 0.21 Allowed 'Trans proline' 0 N--CA 1.488 1.177 0 C-N-CA 121.272 1.315 . . . . 0.0 110.805 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.605 HD22 ' NE2' ' A' ' 52' ' ' GLN . 1.9 t-20 -130.9 -38.86 1.24 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.238 -0.913 . . . . 0.0 109.212 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.12 124.81 39.36 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 7.5 t -83.71 105.35 14.55 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.1 mt -83.23 134.89 34.93 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.609 0.719 . . . . 0.0 109.93 -178.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 6.2 t -94.86 113.11 60.47 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.578 -0.701 . . . . 0.0 109.569 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -89.37 -48.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.171 0 C-N-CA 121.669 1.58 . . . . 0.0 113.619 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -122.44 -43.43 2.29 Favored 'General case' 0 N--CA 1.506 2.346 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.651 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.1 p90 -60.01 -49.9 75.84 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.446 -1.409 . . . . 0.0 112.871 -175.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.651 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 45.8 t30 -72.0 -42.31 66.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 119.949 -1.719 . . . . 0.0 109.802 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -60.44 -50.09 74.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.328 -0.858 . . . . 0.0 110.41 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.39 -43.01 99.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.93 -1.106 . . . . 0.0 109.762 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' THR . . . . . 0.479 ' HG1' ' N ' ' B' ' 86' ' ' TRP . 77.1 p -70.01 -39.96 75.53 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.205 -0.935 . . . . 0.0 109.278 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . 0.479 ' N ' ' HG1' ' B' ' 85' ' ' THR . 46.6 t-105 -68.05 -38.78 82.86 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.236 -0.915 . . . . 0.0 108.951 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -60.06 -39.99 87.93 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.259 -0.901 . . . . 0.0 108.806 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.56 -40.12 95.83 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.816 -1.177 . . . . 0.0 109.136 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.411 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 62.0 t90 -59.98 -50.0 75.47 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.215 -0.928 . . . . 0.0 111.026 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -67.38 -39.8 85.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.686 -1.259 . . . . 0.0 109.037 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.0 -41.43 92.06 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.176 -0.952 . . . . 0.0 110.131 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -59.91 -44.66 94.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.569 -1.332 . . . . 0.0 108.455 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.63 -40.15 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.397 -0.815 . . . . 0.0 108.98 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 56.5 t0 -60.06 -43.0 95.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.297 -0.877 . . . . 0.0 110.182 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -69.37 -40.03 77.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.928 -1.107 . . . . 0.0 109.054 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 68.6 mt -67.16 -40.05 86.57 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.247 -0.908 . . . . 0.0 108.875 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . 0.412 ' OE2' ' NH2' ' B' ' 29' ' ' ARG . 89.0 tt0 -59.92 -46.37 89.57 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.285 -0.885 . . . . 0.0 109.483 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.02 -44.77 94.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.12 -0.987 . . . . 0.0 109.269 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.548 ' OD1' ' NE ' ' A' ' 23' ' ' ARG . 14.4 t-20 -61.99 -42.3 98.99 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.249 -0.907 . . . . 0.0 109.61 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.408 HD11 HG22 ' B' ' 100' ' ' ILE . 93.2 mt -60.02 -46.24 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.148 -0.97 . . . . 0.0 109.197 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 68.3 p -62.05 -40.03 94.39 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.222 -0.924 . . . . 0.0 109.489 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.95 -46.44 89.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.197 -0.939 . . . . 0.0 109.575 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -67.36 -39.96 85.75 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.063 -1.023 . . . . 0.0 109.034 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.69 -43.48 93.37 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.954 . . . . 0.0 109.219 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.14 -43.49 95.69 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.105 -0.997 . . . . 0.0 109.327 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.77 -39.95 79.97 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.275 -0.891 . . . . 0.0 108.85 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.49 97.2 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.444 -0.785 . . . . 0.0 109.598 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -59.94 -48.68 80.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.036 -1.04 . . . . 0.0 109.004 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 91.6 mt -59.99 -50.03 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.254 -0.904 . . . . 0.0 109.534 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -64.94 -40.89 95.71 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.019 -1.051 . . . . 0.0 109.665 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -60.01 -49.46 77.59 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.228 -0.92 . . . . 0.0 109.912 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -62.53 -41.94 99.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.891 . . . . 0.0 110.107 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -63.31 -39.97 96.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.164 -0.96 . . . . 0.0 109.957 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -63.61 -42.52 98.22 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.068 -1.02 . . . . 0.0 109.532 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 26.8 ttt -69.64 -40.11 76.72 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.139 -0.976 . . . . 0.0 108.642 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -60.0 -49.79 76.27 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.591 -0.693 . . . . 0.0 109.227 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -40.03 88.09 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.317 -0.864 . . . . 0.0 109.545 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.94 -41.49 91.93 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.328 -0.858 . . . . 0.0 109.265 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.6 mt-30 -60.69 -40.08 90.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.13 -0.981 . . . . 0.0 109.718 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -60.02 -39.17 84.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.168 -0.958 . . . . 0.0 109.246 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.9 -46.86 88.0 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -126.23 61.32 1.29 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.573 -0.704 . . . . 0.0 109.456 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.545 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.823 0 O-C-N 121.009 -1.057 . . . . 0.0 109.101 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . 0.414 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 96.3 mt-30 -73.93 144.31 45.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.243 -0.91 . . . . 0.0 109.374 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -89.87 59.33 4.55 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.173 -0.955 . . . . 0.0 109.427 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -64.57 -40.07 94.89 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.348 -0.845 . . . . 0.0 109.344 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -59.98 -41.26 91.62 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.174 -0.954 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.75 -42.68 97.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.148 -0.97 . . . . 0.0 108.762 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 20.8 mt -60.22 -39.88 88.19 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.45 -0.781 . . . . 0.0 109.27 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.75 90.39 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.187 -0.946 . . . . 0.0 108.523 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.08 -48.61 68.7 Favored Glycine 0 N--CA 1.487 2.071 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.06 -48.68 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.387 -1.067 . . . . 0.0 109.871 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.96 -46.33 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.109 -0.994 . . . . 0.0 109.399 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -60.36 -39.9 88.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.145 -0.972 . . . . 0.0 109.516 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -60.1 -41.89 93.49 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.098 -1.001 . . . . 0.0 109.358 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -60.38 -40.0 89.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.945 -1.097 . . . . 0.0 109.126 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.05 -46.36 89.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.262 -0.899 . . . . 0.0 109.136 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -59.99 -44.52 94.46 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.111 -0.993 . . . . 0.0 109.298 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.36 -42.11 98.16 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.0 109.571 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.92 -45.73 91.66 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.303 -0.873 . . . . 0.0 109.167 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -59.94 -49.02 79.33 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.21 -0.931 . . . . 0.0 109.745 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.94 -41.58 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.156 -0.965 . . . . 0.0 108.941 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.0 -49.88 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.084 -1.01 . . . . 0.0 108.718 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.69 -40.25 94.34 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.231 -0.918 . . . . 0.0 108.793 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.542 ' NE ' ' OD1' ' A' ' 99' ' ' ASN . 34.4 ttm-85 -60.03 -40.01 87.86 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.632 -0.667 . . . . 0.0 109.33 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -59.99 -39.14 84.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.105 -0.997 . . . . 0.0 108.698 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -59.94 -47.23 86.64 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.981 -1.075 . . . . 0.0 109.204 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -62.31 -41.02 98.18 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.576 -1.327 . . . . 0.0 109.216 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.74 -40.58 92.95 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.331 -0.855 . . . . 0.0 109.235 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.0 -40.02 87.76 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.452 -0.78 . . . . 0.0 109.239 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . 0.44 ' HG2' HH11 ' C' ' 29' ' ' ARG . 39.4 mtt-85 -60.01 -40.47 89.38 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.995 -1.065 . . . . 0.0 108.865 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.423 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 93.1 mt -60.24 -41.95 94.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.035 -1.041 . . . . 0.0 109.553 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.5 p -62.89 -40.13 96.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.893 -1.129 . . . . 0.0 109.184 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.91 -40.05 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.425 -0.797 . . . . 0.0 109.082 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -59.98 -43.08 95.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.37 -0.831 . . . . 0.0 110.379 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.71 -47.73 89.5 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 85.1 m -60.02 -50.01 75.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.117 -1.225 . . . . 0.0 109.929 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . 0.527 ' CB ' ' HZ1' ' C' ' 36' ' ' LYS . 8.2 mtmp? -60.59 -39.97 90.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.073 -1.017 . . . . 0.0 110.088 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.755 HD22 HH21 ' C' ' 41' ' ' ARG . 40.8 t30 -60.07 -40.36 89.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.162 -0.961 . . . . 0.0 109.526 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.0 -40.3 92.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.173 -0.954 . . . . 0.0 109.92 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.94 -42.09 93.25 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.177 -0.952 . . . . 0.0 109.572 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.441 ' O ' ' OG1' ' C' ' 43' ' ' THR . 62.3 p -60.5 -40.0 89.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.01 -1.056 . . . . 0.0 108.906 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.755 HH21 HD22 ' C' ' 37' ' ' ASN . 26.1 mtt-85 -69.3 -39.94 78.0 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.184 -0.948 . . . . 0.0 108.553 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.05 -41.01 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.421 -0.799 . . . . 0.0 108.856 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' C' ' 40' ' ' THR . 42.7 p -60.01 -40.03 87.82 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.016 -1.053 . . . . 0.0 109.331 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.03 96.12 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.041 -1.037 . . . . 0.0 108.862 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . 0.428 HG22 HD11 ' C' ' 45' ' ' ILE . 81.9 mt -60.86 -37.84 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.538 -0.726 . . . . 0.0 109.363 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -60.01 -40.07 87.96 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.063 -1.023 . . . . 0.0 108.447 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.67 -46.1 91.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.363 -0.836 . . . . 0.0 109.132 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 37.9 m-85 -60.14 -39.96 88.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.485 -0.759 . . . . 0.0 110.122 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.04 -39.88 87.47 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.106 -0.996 . . . . 0.0 108.967 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -59.92 -39.95 87.18 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.984 -1.072 . . . . 0.0 108.605 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -59.93 -38.83 83.5 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.611 ' NE2' HD22 ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.95 -39.95 87.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.401 -0.812 . . . . 0.0 108.909 179.844 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.17 -38.07 78.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.853 -1.154 . . . . 0.0 108.183 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.94 -40.05 87.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.338 -0.851 . . . . 0.0 109.729 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 77.9 mt -70.55 117.75 12.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.045 -1.034 . . . . 0.0 108.734 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' C' ' 70' ' ' VAL . 24.7 m120 -133.28 -60.63 0.84 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.299 -0.876 . . . . 0.0 110.681 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . 0.4 ' HB1' ' H ' ' B' ' 58' ' ' TRP . . . -153.5 116.28 4.49 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.067 -1.02 . . . . 0.0 110.247 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 58' ' ' TRP . . . . . 0.403 ' H ' ' HB1' ' A' ' 57' ' ' ALA . 92.1 m95 -101.83 124.29 47.21 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.488 -0.757 . . . . 0.0 110.348 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.15 24.53 73.35 Favored Glycine 0 N--CA 1.49 2.284 0 C-N-CA 120.176 -1.011 . . . . 0.0 110.897 178.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.61 22.73 0.17 Allowed 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.791 -1.417 . . . . 0.0 109.384 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 61' ' ' ALA . . . . . 0.469 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.52 111.74 1.88 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.206 -0.934 . . . . 0.0 109.781 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -108.35 12.72 26.15 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.319 -0.863 . . . . 0.0 110.037 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . 0.477 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 69.1 mtm180 -135.62 24.39 3.41 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.263 -0.898 . . . . 0.0 108.596 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . 0.552 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -148.21 151.88 36.25 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.287 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -102.79 59.06 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.71 157.36 42.87 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.461 -0.774 . . . . 0.0 109.551 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -129.24 134.2 47.87 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 6.0 t -88.91 114.96 26.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.739 -1.226 . . . . 0.0 109.37 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 8.8 t -110.96 120.71 43.3 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 91.1 t -122.86 83.51 49.78 Favored Pre-proline 0 N--CA 1.494 1.76 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -86.53 61.77 4.59 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.831 2.354 . . . . 0.0 111.663 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . 0.41 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 26.3 t90 -69.95 130.79 89.6 Favored Pre-proline 0 C--N 1.303 -1.455 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . 0.41 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 91.5 Cg_exo -40.42 148.84 0.17 Allowed 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 121.325 1.35 . . . . 0.0 110.781 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.585 HD22 ' NE2' ' B' ' 52' ' ' GLN . 1.9 t-20 -131.54 -38.5 1.17 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.164 -0.96 . . . . 0.0 109.232 -179.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.62 124.52 39.68 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.9 t -83.54 105.28 14.35 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 38.7 mt -83.08 134.97 34.99 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 121.577 0.703 . . . . 0.0 109.849 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 6.0 t -95.13 113.08 60.65 Favored Pre-proline 0 N--CA 1.495 1.775 0 O-C-N 121.643 -0.661 . . . . 0.0 109.462 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -89.37 -48.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.227 0 C-N-CA 121.576 1.518 . . . . 0.0 113.511 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -122.2 -43.54 2.31 Favored 'General case' 0 N--CA 1.506 2.358 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -177.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.657 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.1 p90 -60.04 -49.52 77.34 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.418 -1.426 . . . . 0.0 112.834 -175.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.657 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 45.6 t30 -72.14 -42.61 65.8 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 119.952 -1.717 . . . . 0.0 109.829 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.05 -50.0 75.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.923 . . . . 0.0 110.453 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.63 -42.85 99.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.776 -1.203 . . . . 0.0 109.775 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 85' ' ' THR . . . . . 0.476 ' HG1' ' N ' ' C' ' 86' ' ' TRP . 77.2 p -70.06 -39.99 75.33 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.084 -1.01 . . . . 0.0 109.239 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . 0.476 ' N ' ' HG1' ' C' ' 85' ' ' THR . 46.1 t-105 -67.95 -38.61 83.01 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.341 -0.849 . . . . 0.0 109.001 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -60.08 -39.99 87.99 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.128 -0.983 . . . . 0.0 108.846 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -62.8 -39.94 95.81 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.758 -1.214 . . . . 0.0 109.18 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.438 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.5 t90 -60.02 -50.03 75.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.362 -0.836 . . . . 0.0 110.859 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -67.33 -39.95 85.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.62 -1.3 . . . . 0.0 109.108 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -59.98 -41.17 91.41 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.144 -0.972 . . . . 0.0 110.128 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -60.1 -44.54 94.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.688 -1.258 . . . . 0.0 108.476 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.82 -40.01 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.442 -0.786 . . . . 0.0 108.93 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' C' ' 94' ' ' ASP . 57.1 t0 -59.98 -42.69 94.74 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.524 -0.735 . . . . 0.0 110.316 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -69.88 -39.96 75.98 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.922 -1.111 . . . . 0.0 109.015 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 70.8 mt -67.06 -40.08 87.02 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.252 -0.905 . . . . 0.0 108.866 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . 0.42 ' OE2' ' NH2' ' C' ' 29' ' ' ARG . 88.9 tt0 -59.97 -46.39 89.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.262 -0.899 . . . . 0.0 109.521 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -44.68 94.45 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.093 -1.004 . . . . 0.0 109.231 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . 0.531 ' OD1' ' NE ' ' B' ' 23' ' ' ARG . 14.4 t-20 -62.12 -42.08 98.88 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.235 -0.916 . . . . 0.0 109.668 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.1 -46.99 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.028 -1.045 . . . . 0.0 108.939 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 71.6 p -61.22 -40.1 92.74 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.246 -0.909 . . . . 0.0 109.705 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.91 -46.35 89.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.096 -1.002 . . . . 0.0 109.673 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.41 -40.01 85.53 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.064 -1.022 . . . . 0.0 108.951 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.67 -43.54 93.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.212 -0.93 . . . . 0.0 109.251 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.02 -43.59 95.15 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.222 -0.924 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.69 -40.01 80.27 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.225 -0.922 . . . . 0.0 108.839 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.39 97.36 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.415 -0.803 . . . . 0.0 109.612 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -60.01 -48.77 80.32 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.148 -0.97 . . . . 0.0 109.025 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.0 -50.01 81.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.564 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -64.87 -40.8 95.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.069 -1.019 . . . . 0.0 109.709 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -60.07 -49.28 78.27 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.243 -0.911 . . . . 0.0 109.79 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.97 -41.9 99.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.296 -0.877 . . . . 0.0 109.99 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.21 -40.01 96.26 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.048 -1.032 . . . . 0.0 109.983 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -63.23 -42.51 99.23 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.087 -1.008 . . . . 0.0 109.653 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 26.9 ttt -69.87 -40.04 75.95 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.088 -1.007 . . . . 0.0 108.673 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -60.06 -49.8 76.21 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.339 -0.851 . . . . 0.0 109.39 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.94 -41.32 91.58 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.245 -0.91 . . . . 0.0 109.5 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.6 mt-30 -60.98 -40.03 91.89 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.085 -1.01 . . . . 0.0 109.611 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -59.95 -39.04 84.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.174 -0.954 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.99 -46.75 88.45 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -126.47 61.44 1.3 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.547 -0.721 . . . . 0.0 109.425 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.545 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.824 0 O-C-N 120.981 -1.074 . . . . 0.0 109.11 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -68.68 143.36 54.77 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.336 -0.852 . . . . 0.0 109.127 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -90.0 61.16 5.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.214 -0.928 . . . . 0.0 109.007 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.6 mtm-85 -62.79 -39.95 95.8 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.448 -0.782 . . . . 0.0 109.212 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.9 t -59.99 -42.82 95.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.188 -0.945 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.2 tp -62.7 -40.03 95.87 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.073 -1.017 . . . . 0.0 109.345 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.9 mt -64.97 -38.99 92.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.369 -0.832 . . . . 0.0 109.958 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.05 88.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.034 -1.041 . . . . 0.0 108.793 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.94 -47.32 60.91 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 108.687 -1.765 . . . . 0.0 108.687 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.4 HD11 HG22 ' A' ' 10' ' ' ILE . 97.0 mt -59.91 -49.12 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.34 -1.094 . . . . 0.0 109.018 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.95 -43.26 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.0 108.935 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.425 ' NE2' HE22 ' B' ' 110' ' ' GLN . 64.0 tt0 -61.4 -40.04 92.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.308 -0.87 . . . . 0.0 109.256 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.03 -42.15 93.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.26 -0.9 . . . . 0.0 109.451 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.13 -42.13 94.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.97 -1.081 . . . . 0.0 109.024 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -60.0 -47.25 86.62 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.345 -0.847 . . . . 0.0 109.191 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.04 -42.29 94.1 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.239 -0.913 . . . . 0.0 109.615 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.33 -43.07 99.68 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.164 -0.96 . . . . 0.0 108.907 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.01 -44.33 94.64 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.481 -0.762 . . . . 0.0 109.272 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 19' ' ' ASP . 53.3 t0 -60.12 -46.77 88.51 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.085 -1.009 . . . . 0.0 109.799 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.2 -40.0 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.998 -1.064 . . . . 0.0 109.571 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.04 -41.84 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.125 -0.984 . . . . 0.0 108.553 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.44 -41.38 93.9 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.631 -0.668 . . . . 0.0 109.376 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.471 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 32.0 mmt180 -60.59 -41.12 94.05 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 109.752 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.12 -39.92 87.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.144 -0.973 . . . . 0.0 109.262 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -60.01 -46.1 90.61 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.251 -0.906 . . . . 0.0 109.215 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.83 -40.17 94.75 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.122 -0.986 . . . . 0.0 109.424 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.0 tp -64.18 -40.3 95.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 109.177 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.16 -40.15 88.9 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.369 -0.832 . . . . 0.0 109.354 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.69 -40.79 93.5 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.363 -0.835 . . . . 0.0 109.817 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.513 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.7 mt -62.81 -40.81 98.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.213 -0.929 . . . . 0.0 109.773 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.414 ' HG1' ' N ' ' A' ' 32' ' ' VAL . 81.7 p -62.54 -39.93 95.19 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.957 -1.089 . . . . 0.0 109.381 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.414 ' N ' ' HG1' ' A' ' 31' ' ' THR . 77.7 t -62.46 -39.96 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.288 -0.882 . . . . 0.0 109.256 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -59.97 -42.6 94.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.205 -0.935 . . . . 0.0 110.102 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -48.77 84.43 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -59.95 -50.09 75.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.142 -1.211 . . . . 0.0 109.937 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -61.04 -40.02 92.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.098 -1.001 . . . . 0.0 110.025 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.403 ' O ' ' OG1' ' A' ' 40' ' ' THR . 42.6 t30 -59.95 -40.79 90.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.128 -0.983 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.87 -39.92 91.04 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.232 -0.918 . . . . 0.0 109.858 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -60.02 -40.34 88.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.976 -1.077 . . . . 0.0 109.775 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 37' ' ' ASN . 56.2 p -60.05 -40.37 89.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.029 -1.045 . . . . 0.0 108.42 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.536 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 37.4 mtt-85 -68.96 -40.0 79.15 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.502 -0.748 . . . . 0.0 109.017 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.0 -42.59 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.21 -0.931 . . . . 0.0 108.651 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 40' ' ' THR . 52.2 p -59.99 -40.04 87.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.946 -1.096 . . . . 0.0 109.015 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.13 94.66 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.912 . . . . 0.0 108.61 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.6 mt -59.96 -39.29 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.638 -0.664 . . . . 0.0 109.368 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.99 -39.99 87.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.148 -0.97 . . . . 0.0 109.34 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -64.61 -39.96 94.64 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.795 -1.191 . . . . 0.0 109.681 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 54.2 m-85 -66.24 -39.62 89.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.912 -1.117 . . . . 0.0 109.533 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.07 -39.94 87.82 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.182 -0.949 . . . . 0.0 108.595 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -60.01 -39.96 87.6 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.827 -1.17 . . . . 0.0 108.655 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -60.02 -39.2 85.01 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.234 -0.916 . . . . 0.0 108.881 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.79 HE21 HD22 ' B' ' 74' ' ' ASN . 19.1 mt-30 -59.97 -40.03 87.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.034 -1.041 . . . . 0.0 109.128 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.87 -39.98 75.32 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -59.99 -39.56 86.17 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.72 114.84 7.43 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.3 -0.875 . . . . 0.0 108.715 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.693 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 74.9 m-80 -134.83 -65.54 0.62 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.35 -0.844 . . . . 0.0 110.714 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.402 ' HB1' ' H ' ' C' ' 58' ' ' TRP . . . -153.94 116.38 4.37 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.42 -0.8 . . . . 0.0 109.824 -178.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -100.04 125.52 46.11 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.416 -0.802 . . . . 0.0 110.175 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 64.91 27.3 72.0 Favored Glycine 0 N--CA 1.489 2.231 0 C-N-CA 120.016 -1.088 . . . . 0.0 110.701 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.69 22.62 0.13 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.631 -1.511 . . . . 0.0 108.966 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.47 115.88 2.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.207 -0.933 . . . . 0.0 109.511 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.464 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 33.0 m-85 -118.2 11.99 13.36 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 121.318 -0.864 . . . . 0.0 110.673 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -137.52 24.73 2.91 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . 0.452 ' NE2' ' CG ' ' C' ' 62' ' ' PHE . 30.1 mt-30 -143.64 152.62 41.59 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -179.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -102.61 56.31 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.21 157.89 43.22 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.471 -0.768 . . . . 0.0 110.115 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -129.99 135.04 47.84 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.2 t -89.64 113.57 25.05 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.464 -1.398 . . . . 0.0 109.567 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.5 122.66 48.33 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.693 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 72.5 t -129.66 84.01 62.71 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.506 -0.746 . . . . 0.0 109.494 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -85.77 62.97 5.45 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 122.744 2.296 . . . . 0.0 111.331 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' PRO . 13.0 t90 -69.8 130.56 90.07 Favored Pre-proline 0 N--CA 1.488 1.473 0 O-C-N 121.412 -0.805 . . . . 0.0 109.037 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' TRP . 85.9 Cg_exo -39.58 147.93 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.166 0 C-N-CA 121.49 1.46 . . . . 0.0 110.911 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.752 HD22 HE21 ' C' ' 52' ' ' GLN . 2.4 t-20 -132.03 -35.6 1.21 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.391 -0.818 . . . . 0.0 109.439 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.69 126.85 42.15 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 t -80.96 110.0 16.08 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.2 mt -77.53 138.53 39.24 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.599 0.714 . . . . 0.0 109.357 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.558 ' OG1' ' CE2' ' A' ' 81' ' ' TRP . 10.0 t -139.03 85.77 15.62 Favored Pre-proline 0 N--CA 1.493 1.712 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.455 ' CD ' ' H ' ' A' ' 80' ' ' LYS . 17.4 Cg_endo -102.23 -44.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 123.604 2.87 . . . . 0.0 114.293 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.455 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 55.5 tttm -79.29 -47.94 14.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.185 -0.947 . . . . 0.0 113.13 -176.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' TRP . . . . . 0.558 ' CE2' ' OG1' ' A' ' 78' ' ' THR . 4.2 p90 -82.88 -43.59 16.38 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 120.391 -1.443 . . . . 0.0 112.532 -177.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.52 ' OD1' ' NH2' ' C' ' 41' ' ' ARG . 38.0 t30 -69.34 -39.98 77.84 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.483 -1.386 . . . . 0.0 110.564 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -60.0 -49.98 75.55 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.958 -1.089 . . . . 0.0 110.03 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -60.36 -42.45 95.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.924 -1.11 . . . . 0.0 109.784 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.7 p -69.65 -40.02 76.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.186 -0.946 . . . . 0.0 109.432 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -67.47 -39.99 85.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.078 -1.014 . . . . 0.0 109.748 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.04 -41.13 91.61 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.775 -1.203 . . . . 0.0 108.751 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.01 -43.54 95.18 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.876 -1.14 . . . . 0.0 108.158 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TRP . . . . . 0.52 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 66.3 t90 -60.14 -49.93 75.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.5 -0.75 . . . . 0.0 109.691 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.61 -40.47 88.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.38 -0.825 . . . . 0.0 109.407 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.434 ' HG2' HH11 ' A' ' 91' ' ' ARG . 33.0 mtt-85 -65.41 -39.93 92.76 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.285 -0.884 . . . . 0.0 109.9 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -60.13 -43.22 95.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.946 -1.097 . . . . 0.0 108.804 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.16 -40.83 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.339 -0.851 . . . . 0.0 109.498 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -60.08 -44.91 94.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.131 -0.98 . . . . 0.0 110.282 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -64.84 -40.1 94.62 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.878 -1.139 . . . . 0.0 109.663 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.1 mt -66.21 -40.67 90.49 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.271 -0.893 . . . . 0.0 109.34 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.44 -42.52 99.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.141 -0.974 . . . . 0.0 109.191 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.05 -47.75 84.59 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.402 -0.812 . . . . 0.0 109.534 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.462 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.9 t-20 -60.11 -44.7 94.67 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.312 -0.868 . . . . 0.0 109.0 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.418 HG22 HD11 ' A' ' 100' ' ' ILE . 96.0 mt -60.04 -46.9 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.411 -0.805 . . . . 0.0 109.76 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.414 ' HG1' ' N ' ' A' ' 102' ' ' ALA . 45.1 p -59.98 -41.79 92.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.989 -1.07 . . . . 0.0 109.201 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.414 ' N ' ' HG1' ' A' ' 101' ' ' THR . . . -60.07 -50.06 75.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.273 -0.892 . . . . 0.0 109.518 179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.06 -43.07 95.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.329 -0.857 . . . . 0.0 109.534 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.56 -41.75 99.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.224 -0.923 . . . . 0.0 109.413 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.95 -46.83 88.14 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.076 -1.015 . . . . 0.0 109.05 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -62.7 -40.44 97.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.178 -0.952 . . . . 0.0 108.96 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.6 -43.73 97.09 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.341 -0.849 . . . . 0.0 109.485 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -60.02 -48.66 80.78 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.049 -1.032 . . . . 0.0 108.842 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.7 mt -59.99 -49.97 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.412 -0.805 . . . . 0.0 109.709 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.433 HE22 ' NE2' ' C' ' 12' ' ' GLN . 88.6 mt-30 -68.89 -40.05 79.41 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.195 -0.941 . . . . 0.0 109.558 -179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.65 -49.93 75.53 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.268 -0.895 . . . . 0.0 109.436 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.67 -39.99 91.93 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.276 -0.89 . . . . 0.0 109.326 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -63.88 -39.99 95.48 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.318 -0.864 . . . . 0.0 109.965 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -65.44 -44.42 87.32 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.935 -1.103 . . . . 0.0 109.46 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.9 ttm -68.84 -39.97 79.65 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -60.04 -49.94 75.67 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.588 -0.695 . . . . 0.0 109.189 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.83 -39.99 91.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.239 -0.913 . . . . 0.0 109.255 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.0 -42.07 93.46 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.343 -0.848 . . . . 0.0 109.392 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.3 mt-30 -61.33 -40.71 95.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.106 -0.996 . . . . 0.0 109.678 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.03 -39.98 87.73 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.389 -0.819 . . . . 0.0 109.449 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 90.4 mt -58.57 -46.57 86.62 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -125.81 61.22 1.25 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.59 -0.694 . . . . 0.0 109.387 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 119' ' ' GLN . 2.3 p . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.036 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -68.85 143.5 54.52 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.326 -0.859 . . . . 0.0 109.051 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -89.99 61.19 5.17 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 108.99 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . 0.4 HH11 ' HG3' ' B' ' 4' ' ' ARG . 34.7 mtm-85 -62.85 -40.02 96.17 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.51 -0.744 . . . . 0.0 109.216 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 8.0 t -59.97 -42.31 93.86 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.17 -0.956 . . . . 0.0 109.329 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.29 -40.14 96.54 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.184 -0.947 . . . . 0.0 109.401 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.1 mt -64.99 -39.09 92.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.357 -0.84 . . . . 0.0 109.913 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.01 87.7 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.054 -1.029 . . . . 0.0 108.676 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.99 -47.29 60.81 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 108.736 -1.746 . . . . 0.0 108.736 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.99 -48.76 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.427 -1.043 . . . . 0.0 109.077 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.02 -43.31 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.295 -0.878 . . . . 0.0 109.037 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . 0.429 ' NE2' HE22 ' C' ' 110' ' ' GLN . 63.9 tt0 -61.64 -39.99 93.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.365 -0.834 . . . . 0.0 109.232 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.94 -41.91 92.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.209 -0.932 . . . . 0.0 109.458 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.52 -42.03 95.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.112 -0.992 . . . . 0.0 109.029 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.0 -47.09 87.25 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.334 -0.854 . . . . 0.0 109.215 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.16 -42.07 94.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.246 -0.909 . . . . 0.0 109.649 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.5 -43.03 99.8 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.24 -0.913 . . . . 0.0 108.776 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.1 -44.46 94.82 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.514 -0.741 . . . . 0.0 109.283 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -60.1 -46.24 90.26 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.173 -0.955 . . . . 0.0 109.915 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.59 -39.98 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.968 -1.082 . . . . 0.0 109.441 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.06 -41.8 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -60.66 -41.37 94.89 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.599 -0.688 . . . . 0.0 109.38 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ARG . . . . . 0.492 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 32.1 mmt180 -60.74 -40.61 93.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.335 -0.853 . . . . 0.0 109.831 -179.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.54 -39.94 89.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.155 -0.965 . . . . 0.0 109.119 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -60.06 -45.96 91.13 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.21 -0.931 . . . . 0.0 109.195 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -65.1 -40.03 93.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.097 -1.002 . . . . 0.0 109.401 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 tp -64.21 -40.13 95.42 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.309 -0.87 . . . . 0.0 109.253 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.12 -40.04 88.35 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.477 -0.765 . . . . 0.0 109.455 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.0 -40.51 93.82 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.259 -0.901 . . . . 0.0 109.691 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.546 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.9 mt -63.09 -40.55 97.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.189 -0.945 . . . . 0.0 109.646 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 82.7 p -62.69 -39.99 95.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.15 -0.969 . . . . 0.0 109.403 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.1 t -62.31 -40.05 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.247 -0.908 . . . . 0.0 109.257 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -60.01 -42.5 94.44 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.27 -0.894 . . . . 0.0 110.095 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -48.87 83.94 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.714 -1.355 . . . . 0.0 109.714 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.0 -49.99 75.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.057 -1.261 . . . . 0.0 109.982 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -61.09 -39.95 91.86 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.163 -0.961 . . . . 0.0 109.974 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -60.03 -40.97 91.18 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.102 -0.999 . . . . 0.0 109.232 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.53 -40.08 90.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.142 -0.974 . . . . 0.0 109.855 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -59.95 -40.26 88.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.091 -1.006 . . . . 0.0 109.792 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 55.9 p -60.18 -40.29 89.47 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.003 -1.06 . . . . 0.0 108.407 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ARG . . . . . 0.539 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 36.4 mtt-85 -68.99 -39.91 79.1 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.513 -0.742 . . . . 0.0 109.026 178.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.96 -42.63 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.178 -0.951 . . . . 0.0 108.623 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 55.9 p -60.08 -39.98 87.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.046 -1.034 . . . . 0.0 109.044 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.9 95.08 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.02 -39.34 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.628 -0.67 . . . . 0.0 109.34 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.195 -0.94 . . . . 0.0 109.416 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -64.46 -40.4 95.64 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.819 -1.175 . . . . 0.0 109.633 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 55.1 m-85 -65.85 -39.7 91.01 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.976 -1.077 . . . . 0.0 109.637 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.13 -39.84 87.68 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.153 -0.967 . . . . 0.0 108.615 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.11 -39.97 88.05 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.941 -1.1 . . . . 0.0 108.589 178.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -60.0 -39.22 85.01 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.266 -0.896 . . . . 0.0 108.994 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . 0.755 HE21 HD22 ' C' ' 74' ' ' ASN . 18.8 mt-30 -59.94 -40.06 87.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.009 -1.057 . . . . 0.0 109.088 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.9 -40.06 75.56 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -60.02 -39.66 86.62 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 90.3 mt -68.54 114.89 7.34 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.305 -0.872 . . . . 0.0 108.734 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . 0.693 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 75.2 m-80 -134.91 -65.34 0.63 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.449 -0.782 . . . . 0.0 110.565 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.24 116.41 4.28 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.285 -0.884 . . . . 0.0 109.827 -178.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' TRP . . . . . 0.407 ' H ' ' HB1' ' C' ' 57' ' ' ALA . 82.2 m95 -99.89 125.11 45.81 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.316 -0.865 . . . . 0.0 110.215 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 65.23 27.51 72.48 Favored Glycine 0 N--CA 1.491 2.357 0 C-N-CA 120.006 -1.092 . . . . 0.0 110.602 178.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -75.87 22.86 0.14 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.652 -1.499 . . . . 0.0 108.932 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ALA . . . . . 0.504 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.87 115.7 2.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.299 -0.876 . . . . 0.0 109.583 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' PHE . . . . . 0.46 ' CG ' ' NE2' ' C' ' 64' ' ' GLN . 33.0 m-85 -117.95 12.37 13.71 Favored 'General case' 0 N--CA 1.509 2.481 0 O-C-N 121.326 -0.859 . . . . 0.0 110.761 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.409 HH11 ' HG3' ' B' ' 63' ' ' ARG . 2.5 ptm180 -137.62 24.72 2.88 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 177.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLN . . . . . 0.464 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 30.1 mt-30 -143.77 152.7 41.57 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.62 56.36 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.15 157.88 43.27 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.534 -0.729 . . . . 0.0 110.085 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -129.99 134.8 47.67 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 7.2 t -89.48 113.6 24.99 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.471 -1.393 . . . . 0.0 109.578 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.64 122.81 48.76 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . 0.693 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 75.5 t -129.7 83.82 63.2 Favored Pre-proline 0 N--CA 1.495 1.817 0 O-C-N 121.562 -0.711 . . . . 0.0 109.597 -179.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -85.78 62.95 5.44 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 122.754 2.303 . . . . 0.0 111.328 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' TRP . . . . . 0.41 ' O ' ' C ' ' B' ' 73' ' ' PRO . 13.5 t90 -69.89 130.74 89.75 Favored Pre-proline 0 N--CA 1.489 1.524 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' B' ' 72' ' ' TRP . 84.9 Cg_exo -39.61 147.99 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.17 0 C-N-CA 121.371 1.38 . . . . 0.0 110.974 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' ASN . . . . . 0.79 HD22 HE21 ' A' ' 52' ' ' GLN . 2.5 t-20 -132.12 -35.95 1.18 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.293 -0.88 . . . . 0.0 109.331 -179.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.57 126.88 42.07 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.2 t -81.01 109.67 15.82 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -77.16 138.62 39.59 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.555 0.693 . . . . 0.0 109.495 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' THR . . . . . 0.563 ' OG1' ' CE2' ' B' ' 81' ' ' TRP . 10.0 t -139.13 85.61 15.59 Favored Pre-proline 0 N--CA 1.494 1.731 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' PRO . . . . . 0.455 ' CD ' ' H ' ' B' ' 80' ' ' LYS . 17.5 Cg_endo -102.28 -44.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 123.676 2.917 . . . . 0.0 114.349 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' LYS . . . . . 0.455 ' H ' ' CD ' ' B' ' 79' ' ' PRO . 55.8 tttm -79.86 -47.82 14.5 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.231 -0.918 . . . . 0.0 112.982 -176.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' TRP . . . . . 0.563 ' CE2' ' OG1' ' B' ' 78' ' ' THR . 4.2 p90 -82.93 -43.92 15.94 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.384 -1.448 . . . . 0.0 112.361 -177.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' ASN . . . . . 0.536 ' OD1' ' NH2' ' A' ' 41' ' ' ARG . 38.2 t30 -68.91 -40.06 79.31 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.391 -1.443 . . . . 0.0 110.752 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -59.99 -49.96 75.64 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.965 -1.084 . . . . 0.0 109.978 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -60.47 -42.04 95.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.851 -1.156 . . . . 0.0 109.831 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 77.6 p -69.87 -40.07 75.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.134 -0.979 . . . . 0.0 109.51 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -67.38 -40.04 85.69 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.139 -0.975 . . . . 0.0 109.779 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.04 -41.21 91.8 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.883 -1.136 . . . . 0.0 108.784 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -60.01 -43.6 95.14 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.818 -1.176 . . . . 0.0 108.167 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' TRP . . . . . 0.513 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 66.5 t90 -59.97 -50.05 75.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.531 -0.73 . . . . 0.0 109.69 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -66.54 -40.64 89.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.36 -0.837 . . . . 0.0 109.375 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . 0.439 ' HG2' HH11 ' B' ' 91' ' ' ARG . 32.9 mtt-85 -65.18 -40.03 93.7 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.309 -0.869 . . . . 0.0 109.92 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -60.16 -43.29 95.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.98 -1.075 . . . . 0.0 108.838 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.12 -40.8 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.356 -0.84 . . . . 0.0 109.509 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -59.98 -45.35 92.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.215 -0.928 . . . . 0.0 110.278 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -64.5 -40.37 95.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.939 -1.101 . . . . 0.0 109.579 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.8 -40.46 91.9 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.172 -0.955 . . . . 0.0 109.375 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.71 -42.7 99.78 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.049 -1.032 . . . . 0.0 109.2 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.98 -47.91 83.86 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.236 -0.915 . . . . 0.0 109.346 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 99' ' ' ASN . . . . . 0.471 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 28.3 t-20 -59.99 -44.65 94.38 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.35 -0.844 . . . . 0.0 108.984 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 100' ' ' ILE . . . . . 0.411 HD11 HG22 ' B' ' 100' ' ' ILE . 94.0 mt -60.15 -46.8 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.284 -0.885 . . . . 0.0 109.729 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 101' ' ' THR . . . . . 0.419 ' HG1' ' N ' ' B' ' 102' ' ' ALA . 43.3 p -59.94 -41.97 93.0 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.944 -1.097 . . . . 0.0 109.296 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 102' ' ' ALA . . . . . 0.419 ' N ' ' HG1' ' B' ' 101' ' ' THR . . . -60.05 -49.95 75.66 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.261 -0.899 . . . . 0.0 109.437 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.02 -43.47 95.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.337 -0.852 . . . . 0.0 109.484 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.19 -41.71 98.6 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.21 -0.931 . . . . 0.0 109.443 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.99 -46.81 88.25 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.055 -1.028 . . . . 0.0 109.119 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -62.76 -40.52 97.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.281 -0.887 . . . . 0.0 108.891 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.78 97.0 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.313 -0.867 . . . . 0.0 109.462 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -59.98 -48.35 82.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.057 -1.027 . . . . 0.0 108.862 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.28 -50.08 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.387 -0.821 . . . . 0.0 109.613 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 110' ' ' GLN . . . . . 0.425 HE22 ' NE2' ' A' ' 12' ' ' GLN . 88.8 mt-30 -68.8 -40.05 79.8 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.244 -0.91 . . . . 0.0 109.663 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -60.59 -49.73 76.38 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.214 -0.929 . . . . 0.0 109.432 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.11 -39.94 90.35 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.342 -0.848 . . . . 0.0 109.238 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -63.89 -40.08 95.68 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.267 -0.895 . . . . 0.0 109.893 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -65.41 -44.26 88.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.944 -1.097 . . . . 0.0 109.557 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 52.1 ttm -69.07 -39.92 78.79 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.04 -50.0 75.46 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.72 -40.0 90.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.149 -0.969 . . . . 0.0 109.397 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.01 -41.73 92.8 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.439 -0.788 . . . . 0.0 109.482 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 119' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.3 mt-30 -61.72 -40.69 95.94 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.089 -1.007 . . . . 0.0 109.607 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -59.98 -39.94 87.4 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.41 -0.806 . . . . 0.0 109.46 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 90.5 mt -58.74 -46.42 87.47 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -125.6 61.04 1.24 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.515 -0.741 . . . . 0.0 109.47 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 123' ' ' SER . . . . . 0.464 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.3 p . . . . . 0 N--CA 1.497 1.875 0 O-C-N 121.04 -1.038 . . . . 0.0 109.137 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -69.02 143.45 54.33 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.332 -0.855 . . . . 0.0 109.031 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -90.02 61.17 5.15 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.215 -0.928 . . . . 0.0 108.934 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' ARG . . . . . 0.415 HH11 ' HG3' ' C' ' 4' ' ' ARG . 34.3 mtm-85 -62.83 -39.92 95.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.488 -0.757 . . . . 0.0 109.235 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -60.02 -43.08 95.49 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.168 -0.958 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 58.9 tp -62.42 -40.22 95.86 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.047 -1.033 . . . . 0.0 109.42 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.2 mt -64.8 -39.21 93.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.287 -0.883 . . . . 0.0 109.992 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.98 -1.075 . . . . 0.0 108.73 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.78 -47.41 61.25 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 108.672 -1.771 . . . . 0.0 108.672 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.04 -48.81 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.372 -1.075 . . . . 0.0 108.933 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 78.6 t -59.96 -43.27 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.309 -0.869 . . . . 0.0 108.945 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' GLN . . . . . 0.433 ' NE2' HE22 ' A' ' 110' ' ' GLN . 63.9 tt0 -61.59 -40.11 93.58 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.303 -0.873 . . . . 0.0 109.25 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.94 -41.95 92.95 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.204 -0.935 . . . . 0.0 109.524 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.26 -42.06 94.58 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.958 -1.089 . . . . 0.0 109.084 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.98 -47.11 87.18 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.337 -0.852 . . . . 0.0 109.247 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -59.95 -42.39 93.96 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.878 . . . . 0.0 109.72 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.29 -43.06 99.69 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.236 -0.915 . . . . 0.0 108.865 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.06 -44.66 94.56 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.473 -0.767 . . . . 0.0 109.182 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -59.94 -46.78 88.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.205 -0.934 . . . . 0.0 109.896 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.14 -40.02 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.019 -1.05 . . . . 0.0 109.49 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.01 -41.81 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.193 -0.942 . . . . 0.0 108.474 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.67 -41.13 94.46 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.605 -0.684 . . . . 0.0 109.436 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' ARG . . . . . 0.462 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 32.0 mmt180 -60.72 -41.06 94.52 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.244 -0.91 . . . . 0.0 109.695 -179.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.15 -39.86 87.86 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.127 -0.983 . . . . 0.0 109.228 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -60.07 -46.12 90.61 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.255 -0.903 . . . . 0.0 109.21 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.98 -39.96 94.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.007 -1.058 . . . . 0.0 109.446 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.4 tp -64.28 -40.08 95.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.313 -0.867 . . . . 0.0 109.184 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 20.7 mt -60.26 -40.04 88.93 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.419 -0.801 . . . . 0.0 109.464 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.05 -40.32 93.17 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.247 -0.908 . . . . 0.0 109.599 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' LEU . . . . . 0.52 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.8 mt -63.23 -40.37 97.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.18 -0.95 . . . . 0.0 109.723 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' THR . . . . . 0.411 ' HG1' ' N ' ' C' ' 32' ' ' VAL . 81.9 p -62.89 -39.96 96.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.091 -1.005 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' VAL . . . . . 0.411 ' N ' ' HG1' ' C' ' 31' ' ' THR . 78.2 t -62.51 -39.97 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.261 -0.899 . . . . 0.0 109.218 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -60.02 -42.33 94.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.221 -0.924 . . . . 0.0 110.05 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.17 -48.68 84.94 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -50.04 75.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.163 -1.198 . . . . 0.0 110.025 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -61.26 -40.03 92.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.097 -1.002 . . . . 0.0 110.02 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' ASN . . . . . 0.419 HD22 HH21 ' C' ' 41' ' ' ARG . 42.8 t30 -60.05 -40.82 90.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.133 -0.979 . . . . 0.0 109.156 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.69 -39.96 90.42 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.258 -0.901 . . . . 0.0 109.881 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -60.05 -40.48 89.56 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.025 -1.047 . . . . 0.0 109.784 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' C' ' 37' ' ' ASN . 58.6 p -59.96 -40.2 88.22 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.972 -1.08 . . . . 0.0 108.419 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' ARG . . . . . 0.52 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 36.8 mtt-85 -69.01 -39.97 78.96 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.51 -0.744 . . . . 0.0 109.006 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.05 -42.59 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.256 -0.903 . . . . 0.0 108.681 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 56.2 p -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.007 -1.058 . . . . 0.0 109.073 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.86 95.2 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.9 mt -60.04 -39.36 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.01 -39.95 87.57 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.144 -0.973 . . . . 0.0 109.396 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -64.42 -40.12 95.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.891 -1.131 . . . . 0.0 109.713 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 55.0 m-85 -66.25 -39.72 89.7 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.974 -1.079 . . . . 0.0 109.518 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.03 -39.98 87.75 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.153 -0.967 . . . . 0.0 108.639 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -59.98 -40.01 87.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.862 -1.149 . . . . 0.0 108.665 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 51' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' C' ' 51' ' ' ASP . 37.5 t0 -59.99 -39.06 84.43 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.291 -0.881 . . . . 0.0 109.012 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 52' ' ' GLN . . . . . 0.752 HE21 HD22 ' A' ' 74' ' ' ASN . 18.9 mt-30 -60.02 -39.99 87.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.965 -1.084 . . . . 0.0 109.101 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.01 -39.93 75.67 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -60.1 -39.7 87.07 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 90.0 mt -68.42 114.76 7.13 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.315 -0.866 . . . . 0.0 108.775 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 56' ' ' ASN . . . . . 0.698 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 75.0 m-80 -134.8 -65.55 0.63 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.418 -0.801 . . . . 0.0 110.685 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . 0.407 ' HB1' ' H ' ' B' ' 58' ' ' TRP . . . -153.93 116.31 4.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.283 -0.886 . . . . 0.0 109.763 -178.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 58' ' ' TRP . . . . . 0.402 ' H ' ' HB1' ' A' ' 57' ' ' ALA . 82.8 m95 -99.99 125.16 45.99 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.381 -0.824 . . . . 0.0 110.068 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 59' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 65.21 27.53 72.49 Favored Glycine 0 N--CA 1.489 2.207 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.668 178.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 60' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -75.93 22.72 0.14 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.683 -1.48 . . . . 0.0 108.925 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 61' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.66 115.77 2.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.087 -1.008 . . . . 0.0 109.61 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 62' ' ' PHE . . . . . 0.452 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 32.6 m-85 -118.07 12.21 13.56 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 121.33 -0.857 . . . . 0.0 110.731 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . 0.404 ' HG3' HH11 ' C' ' 63' ' ' ARG . 2.5 ptm180 -137.61 24.67 2.89 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 177.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 64' ' ' GLN . . . . . 0.46 ' NE2' ' CG ' ' B' ' 62' ' ' PHE . 30.0 mt-30 -143.71 152.55 41.43 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -102.4 56.1 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.11 157.88 43.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.414 -0.804 . . . . 0.0 110.158 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -129.96 134.92 47.77 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 7.4 t -89.43 113.42 24.76 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.512 -1.367 . . . . 0.0 109.581 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.44 122.71 48.49 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 70' ' ' VAL . . . . . 0.698 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 78.0 t -129.78 84.01 62.4 Favored Pre-proline 0 N--CA 1.494 1.76 0 O-C-N 121.544 -0.723 . . . . 0.0 109.577 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -85.77 63.12 5.47 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.783 2.322 . . . . 0.0 111.399 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -69.94 130.75 89.66 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.531 -0.731 . . . . 0.0 109.042 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -39.55 147.78 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.181 0 C-N-CA 121.386 1.391 . . . . 0.0 111.054 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 74' ' ' ASN . . . . . 0.755 HD22 HE21 ' B' ' 52' ' ' GLN . 2.5 t-20 -132.18 -35.65 1.19 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.448 -0.783 . . . . 0.0 109.39 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.8 126.91 42.29 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 1.1 t -80.94 109.99 16.05 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 45.6 mt -77.61 138.48 39.15 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.564 0.697 . . . . 0.0 109.402 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 78' ' ' THR . . . . . 0.557 ' OG1' ' CE2' ' C' ' 81' ' ' TRP . 10.0 t -139.0 85.63 15.81 Favored Pre-proline 0 N--CA 1.492 1.667 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 79' ' ' PRO . . . . . 0.45 ' CD ' ' H ' ' C' ' 80' ' ' LYS . 17.8 Cg_endo -102.19 -44.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 123.597 2.865 . . . . 0.0 114.328 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 80' ' ' LYS . . . . . 0.45 ' H ' ' CD ' ' C' ' 79' ' ' PRO . 55.5 tttm -79.46 -48.06 14.58 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.181 -0.949 . . . . 0.0 113.066 -176.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 81' ' ' TRP . . . . . 0.557 ' CE2' ' OG1' ' C' ' 78' ' ' THR . 4.2 p90 -82.66 -43.64 16.69 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.441 -1.412 . . . . 0.0 112.476 -177.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 82' ' ' ASN . . . . . 0.539 ' OD1' ' NH2' ' B' ' 41' ' ' ARG . 37.7 t30 -69.2 -40.06 78.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.336 -1.478 . . . . 0.0 110.786 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -60.0 -49.97 75.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.922 -1.111 . . . . 0.0 109.88 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -60.53 -42.15 95.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.884 -1.135 . . . . 0.0 109.806 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 77.4 p -69.85 -39.91 76.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.154 -0.966 . . . . 0.0 109.512 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -67.46 -40.05 85.33 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.184 -0.948 . . . . 0.0 109.774 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.03 -41.27 91.88 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.8 -1.187 . . . . 0.0 108.763 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -60.0 -43.62 95.08 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.865 -1.147 . . . . 0.0 108.104 178.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 89' ' ' TRP . . . . . 0.546 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 66.0 t90 -60.03 -50.08 75.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.46 -0.775 . . . . 0.0 109.578 179.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.35 -40.62 89.94 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.392 -0.817 . . . . 0.0 109.485 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' C' ' 91' ' ' ARG . 32.8 mtt-85 -65.33 -39.93 93.06 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.2 -0.938 . . . . 0.0 109.93 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -60.28 -42.88 96.37 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.95 -1.094 . . . . 0.0 108.798 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.36 -41.02 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.401 -0.812 . . . . 0.0 109.421 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -59.9 -45.12 93.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.0 110.429 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -64.55 -40.09 94.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.909 -1.119 . . . . 0.0 109.657 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.42 -40.4 89.52 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.186 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.64 -42.81 99.81 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.109 -0.994 . . . . 0.0 109.104 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.93 -47.7 84.72 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.37 -0.831 . . . . 0.0 109.455 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 99' ' ' ASN . . . . . 0.492 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.8 t-20 -60.05 -44.47 94.67 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.318 -0.864 . . . . 0.0 109.051 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 100' ' ' ILE . . . . . 0.4 HG22 HD11 ' C' ' 100' ' ' ILE . 94.9 mt -60.26 -46.68 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.275 -0.891 . . . . 0.0 109.721 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 101' ' ' THR . . . . . 0.4 ' HG1' ' H ' ' C' ' 102' ' ' ALA . 43.8 p -59.99 -42.01 93.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.024 -1.048 . . . . 0.0 109.18 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 102' ' ' ALA . . . . . 0.4 ' H ' ' HG1' ' C' ' 101' ' ' THR . . . -60.07 -49.99 75.48 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.282 -0.887 . . . . 0.0 109.522 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.05 -43.22 95.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.286 -0.884 . . . . 0.0 109.614 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.35 -41.8 98.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 0.0 109.301 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.08 -46.47 89.47 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.185 -0.947 . . . . 0.0 108.908 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -63.02 -40.08 96.67 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.282 -0.886 . . . . 0.0 109.041 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.45 98.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.404 -0.81 . . . . 0.0 109.43 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -60.09 -48.51 81.41 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.079 -1.013 . . . . 0.0 108.847 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.25 -49.98 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 121.35 -0.844 . . . . 0.0 109.726 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . 0.429 HE22 ' NE2' ' B' ' 12' ' ' GLN . 88.4 mt-30 -68.8 -40.21 79.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.142 -0.974 . . . . 0.0 109.512 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -60.45 -49.98 75.42 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.322 -0.861 . . . . 0.0 109.474 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -65.84 -40.03 91.37 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.287 -0.883 . . . . 0.0 109.277 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -63.9 -40.16 95.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.349 -0.844 . . . . 0.0 109.977 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.45 -44.12 88.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.026 -1.046 . . . . 0.0 109.443 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 52.4 ttm -69.05 -40.0 78.82 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -60.02 -49.99 75.5 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.483 -0.761 . . . . 0.0 109.175 179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.7 -40.11 91.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.189 -0.944 . . . . 0.0 109.257 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.04 -41.67 92.76 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.292 -0.88 . . . . 0.0 109.398 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 119' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.4 mt-30 -61.72 -40.78 96.26 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.065 -1.022 . . . . 0.0 109.612 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -59.97 -39.5 85.88 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.437 -0.789 . . . . 0.0 109.763 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 90.3 mt -58.96 -46.45 88.03 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -125.94 61.14 1.26 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.61 -0.682 . . . . 0.0 109.408 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 123' ' ' SER . . . . . 0.462 ' N ' ' O ' ' C' ' 119' ' ' GLN . 2.3 p . . . . . 0 N--CA 1.495 1.798 0 O-C-N 120.998 -1.064 . . . . 0.0 109.098 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.419 ' H1 ' ' H ' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.482 HE22 ' NE2' ' C' ' 2' ' ' GLN . 96.3 mm-40 -68.88 145.08 54.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.872 -1.142 . . . . 0.0 108.702 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -88.82 62.15 6.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.075 -1.015 . . . . 0.0 109.32 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -64.46 -40.17 95.2 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.351 -0.843 . . . . 0.0 109.028 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.4 t -59.96 -44.94 94.11 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.237 -0.914 . . . . 0.0 109.592 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.2 tp -60.21 -42.16 94.55 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.7 mt -62.55 -40.04 95.57 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.551 -0.718 . . . . 0.0 109.358 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.61 91.96 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.77 -46.1 94.35 Favored Glycine 0 N--CA 1.487 2.089 0 N-CA-C 108.807 -1.717 . . . . 0.0 108.807 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.431 HG22 HD11 ' A' ' 10' ' ' ILE . 96.4 mt -60.14 -48.41 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.361 -1.082 . . . . 0.0 109.663 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.24 -42.95 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.032 -1.043 . . . . 0.0 109.322 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -60.98 -39.89 91.36 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.427 -0.795 . . . . 0.0 109.686 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.96 -41.72 92.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 109.374 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -61.99 -40.01 94.15 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.017 -1.052 . . . . 0.0 109.397 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.3 -45.66 92.6 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.308 -0.87 . . . . 0.0 109.314 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -61.99 -43.5 98.71 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.897 . . . . 0.0 109.611 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.57 -43.17 97.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.101 -1.0 . . . . 0.0 109.72 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.19 -43.23 96.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.121 -0.987 . . . . 0.0 109.289 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -59.98 -47.59 85.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.092 -1.005 . . . . 0.0 109.449 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.2 t -60.62 -40.09 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.306 -0.871 . . . . 0.0 109.965 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.53 -42.98 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.223 -0.923 . . . . 0.0 108.618 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.32 -40.17 96.58 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.446 -0.784 . . . . 0.0 109.01 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -60.8 -40.5 92.91 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.259 -0.901 . . . . 0.0 109.303 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.67 -39.97 90.37 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.184 -0.948 . . . . 0.0 109.133 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -59.99 -50.05 75.26 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.38 -0.825 . . . . 0.0 109.622 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.38 -44.31 95.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.883 -1.135 . . . . 0.0 109.357 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.6 tp -60.24 -41.32 92.9 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.425 ' O ' ' OG1' ' A' ' 31' ' ' THR . 24.8 mt -60.84 -40.37 92.6 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.445 -0.784 . . . . 0.0 109.006 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.443 HH12 ' CD ' ' A' ' 97' ' ' GLU . 50.8 mtt-85 -62.14 -41.79 98.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.233 -0.917 . . . . 0.0 109.138 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.495 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 94.2 mt -61.89 -41.48 97.94 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.134 -0.979 . . . . 0.0 109.591 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 65.5 p -62.72 -40.05 95.97 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.179 -0.951 . . . . 0.0 110.002 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.43 -41.52 87.76 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.165 -0.96 . . . . 0.0 109.241 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -60.04 -41.55 92.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.091 -1.005 . . . . 0.0 110.36 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.06 -50.14 70.97 Favored Glycine 0 N--CA 1.483 1.79 0 C-N-CA 119.25 -1.452 . . . . 0.0 110.262 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -60.27 -50.11 74.92 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.036 -1.273 . . . . 0.0 110.719 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.51 -40.0 89.8 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.126 -0.984 . . . . 0.0 109.97 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.446 HD22 HH21 ' A' ' 41' ' ' ARG . 44.4 t-20 -60.01 -40.54 89.61 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.954 -1.092 . . . . 0.0 109.745 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.26 -40.59 90.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.067 -1.02 . . . . 0.0 109.905 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -60.04 -41.12 91.59 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.867 -1.146 . . . . 0.0 110.081 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.436 ' O ' ' OG1' ' A' ' 43' ' ' THR . 65.2 p -60.14 -42.18 94.28 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.935 -1.103 . . . . 0.0 108.695 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.506 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 41.7 mtt-85 -65.07 -39.87 93.85 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.95 -42.31 89.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.262 -0.899 . . . . 0.0 109.041 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' A' ' 40' ' ' THR . 40.4 p -59.77 -40.35 87.91 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.759 -1.213 . . . . 0.0 109.825 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.03 96.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.086 -1.009 . . . . 0.0 108.935 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.06 -39.45 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.412 -0.805 . . . . 0.0 109.326 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.88 -40.35 88.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.033 -1.042 . . . . 0.0 109.898 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -64.14 -40.29 95.85 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.096 -1.003 . . . . 0.0 109.994 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 61.8 m-85 -67.46 -38.79 84.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.776 -1.203 . . . . 0.0 110.1 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.84 -39.89 86.7 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.735 -1.228 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -60.46 -39.61 88.2 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.888 -1.133 . . . . 0.0 108.765 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -60.03 -40.0 87.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.435 -0.791 . . . . 0.0 109.019 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 48' ' ' TYR . 0.9 OUTLIER -59.78 -39.65 85.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.077 -1.015 . . . . 0.0 109.436 179.595 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.75 -35.23 74.18 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.958 -1.089 . . . . 0.0 108.678 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.94 -39.69 86.4 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.157 -0.965 . . . . 0.0 109.002 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.8 mt -71.35 113.34 8.28 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.855 -1.153 . . . . 0.0 108.903 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -134.53 -70.77 0.5 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.248 -0.907 . . . . 0.0 109.821 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.88 100.9 3.13 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.381 -0.824 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.492 ' C ' ' H ' ' A' ' 60' ' ' ALA . 71.8 m95 -115.95 150.44 37.14 Favored 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 121.447 0.641 . . . . 0.0 110.442 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.483 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 55.06 7.46 1.12 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -76.24 23.89 0.14 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.184 -1.186 . . . . 0.0 109.273 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.97 113.87 3.06 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.111 -0.993 . . . . 0.0 109.871 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -106.82 13.09 28.27 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.406 -0.809 . . . . 0.0 110.175 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.654 HH21 HH21 ' C' ' 63' ' ' ARG . 42.6 mtt-85 -121.96 23.21 10.1 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 177.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.542 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -149.7 151.65 34.04 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.227 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.0 t -107.36 60.04 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.077 -1.014 . . . . 0.0 109.057 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.37 157.99 42.06 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.475 -0.765 . . . . 0.0 109.854 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -126.26 132.78 51.62 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.7 t -97.82 119.56 36.63 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-O 121.94 0.876 . . . . 0.0 110.499 -178.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.419 ' O ' ' CG2' ' A' ' 69' ' ' THR . 15.0 t -115.36 121.19 42.06 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.6 t -124.98 86.34 56.72 Favored Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 121.478 -0.764 . . . . 0.0 109.58 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -83.92 66.35 7.14 Favored 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 122.669 2.246 . . . . 0.0 111.91 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' PRO . 22.7 t90 -69.57 132.64 89.17 Favored Pre-proline 0 N--CA 1.488 1.471 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.416 ' C ' ' O ' ' A' ' 72' ' ' TRP . 80.1 Cg_exo -40.01 148.69 0.15 Allowed 'Trans proline' 0 C--N 1.316 -1.156 0 C-N-CA 121.22 1.28 . . . . 0.0 111.147 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.554 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 8.4 t-20 -130.3 -53.65 1.1 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.21 124.07 33.48 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.0 m -80.46 110.06 15.55 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.008 -1.077 . . . . 0.0 108.173 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.8 mt -79.69 136.82 36.89 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.62 0.724 . . . . 0.0 109.75 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.7 t -89.64 114.5 60.82 Favored Pre-proline 0 C--N 1.298 -1.641 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -90.54 -47.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 1.023 0 C-N-CA 121.738 1.626 . . . . 0.0 113.664 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -122.1 -43.87 2.31 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -177.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.609 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.8 p90 -60.21 -47.44 85.93 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.306 -1.496 . . . . 0.0 112.749 -175.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.609 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.9 t30 -73.85 -46.99 41.54 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 119.893 -1.754 . . . . 0.0 110.697 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -60.18 -50.07 75.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.061 -1.024 . . . . 0.0 110.4 -177.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.6 -43.43 98.84 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.613 -1.305 . . . . 0.0 109.553 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.442 ' HG1' ' N ' ' A' ' 86' ' ' TRP . 69.3 p -69.71 -39.96 76.56 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.252 -0.905 . . . . 0.0 109.713 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.442 ' N ' ' HG1' ' A' ' 85' ' ' THR . 35.0 t-105 -68.96 -40.02 79.12 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 120.879 -1.138 . . . . 0.0 109.475 -179.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.13 -41.76 93.35 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.628 -1.295 . . . . 0.0 108.771 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.31 -41.18 96.57 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.038 -1.039 . . . . 0.0 108.566 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.491 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 71.6 t90 -60.12 -50.04 75.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.479 -0.763 . . . . 0.0 109.154 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.63 -42.47 98.93 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.225 -0.922 . . . . 0.0 109.819 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -61.96 -41.69 98.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.105 -0.997 . . . . 0.0 110.549 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -60.39 -41.07 93.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.847 -1.158 . . . . 0.0 109.268 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.45 -40.22 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 O-C-N 121.437 -0.789 . . . . 0.0 109.447 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.37 -40.65 97.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.278 -0.889 . . . . 0.0 110.871 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -69.86 -40.18 75.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.869 -1.144 . . . . 0.0 109.569 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.24 -40.02 82.11 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.928 -1.108 . . . . 0.0 108.843 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.443 ' CD ' HH12 ' A' ' 29' ' ' ARG . 88.5 tt0 -60.65 -45.49 93.89 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.145 -0.972 . . . . 0.0 109.835 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.63 -40.03 95.85 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.132 -0.98 . . . . 0.0 109.562 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -64.46 -40.03 94.93 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.406 -0.809 . . . . 0.0 110.263 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.2 mt -66.02 -40.2 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.99 -1.069 . . . . 0.0 109.47 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.4 p -63.34 -42.05 98.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.048 -1.032 . . . . 0.0 109.647 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.5 84.69 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.089 -1.007 . . . . 0.0 109.348 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.45 -46.17 91.03 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.444 -0.785 . . . . 0.0 109.471 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.85 -41.3 97.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.045 -1.035 . . . . 0.0 109.818 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.1 -46.39 89.77 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.222 -0.923 . . . . 0.0 108.96 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.86 -42.37 99.73 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.351 -0.843 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.432 ' N ' HE22 ' C' ' 16' ' ' GLN . . . -60.56 -43.04 97.69 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.261 -0.899 . . . . 0.0 109.997 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.49 -43.09 97.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.25 -0.906 . . . . 0.0 109.988 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.23 -41.78 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.138 -0.976 . . . . 0.0 109.489 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -69.85 -40.17 75.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.033 -1.042 . . . . 0.0 109.558 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.03 -49.7 76.65 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.125 -0.984 . . . . 0.0 109.236 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.95 -42.45 99.12 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.247 -0.908 . . . . 0.0 109.35 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -62.26 -40.19 95.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.328 -0.858 . . . . 0.0 110.135 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -65.59 -41.62 92.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.878 -1.139 . . . . 0.0 109.256 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 60.5 ttm -70.03 -40.05 75.41 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.281 -0.887 . . . . 0.0 109.022 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.94 -45.99 90.85 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.208 -0.933 . . . . 0.0 108.758 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.79 -40.04 93.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.0 109.103 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.01 -40.35 88.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.319 -0.863 . . . . 0.0 109.106 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.8 mt-30 -61.65 -40.26 94.27 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.384 -0.823 . . . . 0.0 109.785 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -59.95 -39.98 87.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.296 -0.877 . . . . 0.0 109.377 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.2 mt -59.22 -47.31 85.83 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -130.03 62.41 1.56 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.456 -0.777 . . . . 0.0 109.708 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.053 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.451 ' H1 ' ' H ' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.451 ' H ' ' H1 ' ' B' ' 1' ' ' ALA . 96.1 mm-40 -68.99 144.89 54.0 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.035 -1.041 . . . . 0.0 108.615 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -88.6 61.89 6.27 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.12 -0.987 . . . . 0.0 109.462 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -64.26 -40.02 95.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.203 -0.936 . . . . 0.0 109.058 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 2.4 t -60.11 -45.4 93.12 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.28 -0.888 . . . . 0.0 109.341 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 58.8 tp -59.96 -41.89 92.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.102 -0.998 . . . . 0.0 108.405 179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.08 -39.84 95.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.55 -0.719 . . . . 0.0 109.242 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.33 93.13 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.104 -0.998 . . . . 0.0 108.447 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.56 -46.25 94.16 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.818 -1.713 . . . . 0.0 108.818 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.43 HG22 HD11 ' B' ' 10' ' ' ILE . 96.4 mt -60.1 -48.61 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.27 -1.135 . . . . 0.0 109.631 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 69.8 t -60.12 -42.91 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.147 -0.97 . . . . 0.0 109.241 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -61.12 -39.85 91.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.366 -0.834 . . . . 0.0 109.792 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.98 -42.18 93.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.36 -0.838 . . . . 0.0 109.21 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -61.46 -40.04 93.06 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.15 -0.969 . . . . 0.0 109.509 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.4 -45.94 91.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.856 . . . . 0.0 109.354 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -61.37 -44.16 97.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.229 -0.919 . . . . 0.0 109.499 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.31 -43.28 96.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.143 -0.973 . . . . 0.0 109.694 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.5 tp -59.96 -43.41 95.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.114 -0.991 . . . . 0.0 109.234 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -60.15 -47.27 86.63 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.143 -0.973 . . . . 0.0 109.397 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 88.7 t -60.66 -40.6 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.22 -0.925 . . . . 0.0 109.786 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.13 -43.25 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.271 -0.893 . . . . 0.0 108.598 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -62.93 -40.32 97.27 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -60.73 -40.55 92.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.47 -0.769 . . . . 0.0 109.111 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.89 -39.96 91.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.191 -0.943 . . . . 0.0 109.243 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -59.95 -49.99 75.53 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.17 -0.956 . . . . 0.0 109.586 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -60.26 -44.74 95.03 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.091 -1.006 . . . . 0.0 108.985 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 43.4 tp -60.0 -41.41 92.02 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.195 -0.941 . . . . 0.0 108.584 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.418 ' O ' ' OG1' ' B' ' 31' ' ' THR . 24.5 mt -60.45 -40.41 91.06 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.333 -0.854 . . . . 0.0 109.163 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.445 HH12 ' CD ' ' B' ' 97' ' ' GLU . 49.8 mtt-85 -62.21 -41.52 98.45 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.24 -0.912 . . . . 0.0 109.152 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.451 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.6 mt -62.26 -41.18 98.22 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.896 -1.128 . . . . 0.0 109.614 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' B' ' 28' ' ' LEU . 64.3 p -62.83 -40.13 96.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.263 -0.898 . . . . 0.0 110.104 -179.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.11 -41.45 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.381 -0.824 . . . . 0.0 109.612 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -60.13 -41.91 93.69 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.312 -0.868 . . . . 0.0 110.372 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -50.3 69.23 Favored Glycine 0 N--CA 1.487 2.084 0 C-N-CA 119.486 -1.34 . . . . 0.0 110.079 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.06 -50.06 75.2 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.095 -1.238 . . . . 0.0 110.729 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -60.71 -40.25 91.57 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.215 -0.928 . . . . 0.0 109.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.44 HD22 HH21 ' B' ' 41' ' ' ARG . 44.6 t-20 -59.94 -40.45 88.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.138 -0.976 . . . . 0.0 109.521 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.55 -40.21 90.76 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.982 . . . . 0.0 110.163 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -60.23 -40.76 91.35 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.853 -1.154 . . . . 0.0 110.045 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.412 ' O ' ' OG1' ' B' ' 43' ' ' THR . 59.5 p -60.17 -42.12 94.29 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.249 -0.98 . . . . 0.0 108.704 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.474 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 42.0 mtt-85 -65.57 -40.03 92.34 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.297 -0.877 . . . . 0.0 108.873 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.1 -41.42 86.42 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.25 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' B' ' 40' ' ' THR . 39.5 p -60.54 -40.02 90.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.955 -1.091 . . . . 0.0 109.592 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.03 97.51 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.027 -1.046 . . . . 0.0 108.896 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.15 -39.76 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.459 -0.776 . . . . 0.0 109.28 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.65 -40.02 86.29 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.208 -0.933 . . . . 0.0 109.8 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -64.4 -40.07 95.09 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.034 -1.041 . . . . 0.0 110.233 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 61.1 m-85 -67.62 -38.53 84.04 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.089 -1.007 . . . . 0.0 109.856 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.1 -39.91 87.82 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.746 -1.221 . . . . 0.0 109.365 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.2 -39.97 88.43 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.968 -1.083 . . . . 0.0 108.737 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -59.9 -39.77 86.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.25 -0.906 . . . . 0.0 109.118 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' B' ' 48' ' ' TYR . 0.9 OUTLIER -60.03 -39.85 87.32 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.069 -1.019 . . . . 0.0 109.288 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.14 -35.28 73.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.001 -1.062 . . . . 0.0 108.823 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -59.85 -39.59 85.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.144 -0.972 . . . . 0.0 108.915 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.6 mt -71.65 113.52 8.77 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.918 -1.114 . . . . 0.0 108.861 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 35.2 m120 -134.56 -70.6 0.5 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.401 -0.812 . . . . 0.0 109.841 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.91 100.72 3.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.338 -0.851 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.482 ' C ' ' H ' ' B' ' 60' ' ' ALA . 72.9 m95 -115.53 150.45 36.56 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.581 -0.7 . . . . 0.0 110.277 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.493 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 55.42 6.74 1.09 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' B' ' 58' ' ' TRP . . . -75.88 24.23 0.13 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.111 -1.229 . . . . 0.0 109.359 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.493 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.08 113.83 3.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.848 . . . . 0.0 110.018 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -106.97 13.25 27.81 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.338 -0.851 . . . . 0.0 110.334 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.737 HH21 HH21 ' C' ' 63' ' ' ARG . 41.7 mtt-85 -121.92 23.3 10.08 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 177.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.542 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.8 151.65 33.9 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.158 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.6 t -107.52 59.73 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.12 -0.988 . . . . 0.0 109.015 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.45 158.1 43.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.479 -0.763 . . . . 0.0 109.805 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -126.44 132.68 51.42 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 4.8 t -97.84 119.42 36.41 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 121.787 0.803 . . . . 0.0 110.406 -178.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' THR . . . . . 0.426 ' O ' ' CG2' ' B' ' 69' ' ' THR . 14.9 t -115.39 120.57 40.01 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.412 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 92.1 t -124.38 86.66 54.7 Favored Pre-proline 0 N--CA 1.498 1.962 0 O-C-N 121.337 -0.852 . . . . 0.0 109.588 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -84.12 66.46 6.98 Favored 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.077 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' B' ' 73' ' ' PRO . 22.0 t90 -69.54 132.92 89.09 Favored Pre-proline 0 N--CA 1.489 1.494 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.401 ' C ' ' O ' ' B' ' 72' ' ' TRP . 82.1 Cg_exo -40.3 148.66 0.17 Allowed 'Trans proline' 0 C--N 1.317 -1.116 0 C-N-CA 121.179 1.253 . . . . 0.0 111.082 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.544 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 8.5 t-20 -130.29 -53.78 1.1 Allowed 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.08 124.14 33.47 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 9.5 m -80.49 109.99 15.52 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.801 -1.187 . . . . 0.0 108.066 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.7 mt -79.2 136.92 37.23 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.617 0.722 . . . . 0.0 109.658 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 5.8 t -89.69 115.3 63.51 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -91.34 -47.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.033 0 C-N-CA 121.736 1.624 . . . . 0.0 113.699 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.88 -44.33 2.31 Favored 'General case' 0 N--CA 1.507 2.416 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.607 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -60.11 -47.02 87.63 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.261 -1.524 . . . . 0.0 112.88 -175.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.607 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 65.0 t30 -74.25 -47.05 37.61 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 119.999 -1.688 . . . . 0.0 110.631 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -59.9 -50.14 74.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.078 -1.014 . . . . 0.0 110.58 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -62.87 -43.27 99.23 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.779 -1.2 . . . . 0.0 109.378 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.452 ' HG1' ' N ' ' B' ' 86' ' ' TRP . 68.4 p -69.72 -40.11 76.43 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.211 -0.931 . . . . 0.0 109.764 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . 0.452 ' N ' ' HG1' ' B' ' 85' ' ' THR . 34.7 t-105 -68.68 -40.02 80.3 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.882 -1.136 . . . . 0.0 109.504 -179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.14 -41.25 92.32 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 118.625 -1.23 . . . . 0.0 108.845 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.64 -41.52 97.62 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.062 -1.024 . . . . 0.0 108.583 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.495 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 70.4 t90 -60.13 -49.86 75.99 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.52 -0.738 . . . . 0.0 109.089 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -61.52 -42.99 99.63 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.345 -0.847 . . . . 0.0 109.941 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -61.16 -42.26 98.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.173 -0.954 . . . . 0.0 110.472 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -60.34 -41.05 92.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.959 -1.088 . . . . 0.0 109.279 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.0 t -63.39 -40.26 88.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.537 -0.727 . . . . 0.0 109.457 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -62.33 -40.85 97.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.141 -0.974 . . . . 0.0 110.649 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -69.62 -39.82 76.95 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.724 -1.235 . . . . 0.0 109.73 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 96.2 mt -68.2 -40.48 82.16 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.078 -1.014 . . . . 0.0 108.736 179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . 0.445 ' CD ' HH12 ' B' ' 29' ' ' ARG . 88.7 tt0 -60.69 -46.02 91.98 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.25 -0.906 . . . . 0.0 109.573 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.31 -40.02 96.19 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.936 -1.103 . . . . 0.0 109.397 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -64.49 -40.21 95.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.307 -0.87 . . . . 0.0 110.408 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.9 mt -66.05 -40.27 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.122 -0.986 . . . . 0.0 109.483 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 42.0 p -62.86 -42.87 99.92 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.935 -1.103 . . . . 0.0 109.688 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.3 84.16 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.078 -1.014 . . . . 0.0 109.335 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.51 -45.74 92.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.332 -0.855 . . . . 0.0 109.49 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.97 -41.34 97.9 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.016 -1.052 . . . . 0.0 109.753 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.13 -46.16 90.58 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.199 -0.938 . . . . 0.0 108.924 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.87 -42.33 99.72 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.291 -0.881 . . . . 0.0 109.38 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.07 98.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.897 . . . . 0.0 109.859 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.29 -43.13 96.54 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.154 -0.966 . . . . 0.0 109.983 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.69 -41.53 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.396 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -69.97 -40.32 75.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.125 -0.985 . . . . 0.0 109.436 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -59.83 -50.02 75.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.255 -0.903 . . . . 0.0 109.603 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.63 -42.89 99.53 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.341 -0.849 . . . . 0.0 109.163 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -62.05 -40.49 95.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.305 -0.872 . . . . 0.0 110.189 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -65.24 -41.8 93.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.741 -1.225 . . . . 0.0 109.387 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 60.4 ttm -69.76 -40.1 76.31 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.366 -0.834 . . . . 0.0 108.817 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.97 -45.87 91.28 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.236 -0.915 . . . . 0.0 108.745 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.66 -40.13 93.84 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.353 -0.842 . . . . 0.0 109.222 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.97 -40.7 89.95 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.454 -0.779 . . . . 0.0 109.039 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' B' ' 123' ' ' SER . 98.1 mt-30 -61.38 -40.3 93.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 110.068 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -60.12 -39.72 87.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.292 -0.88 . . . . 0.0 109.318 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.5 -47.09 86.87 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -130.08 62.12 1.57 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.514 -0.741 . . . . 0.0 109.716 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.515 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.135 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.429 ' H1 ' ' H ' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.482 ' NE2' HE22 ' A' ' 2' ' ' GLN . 96.3 mm-40 -68.9 145.06 53.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.133 -0.98 . . . . 0.0 108.411 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -88.99 61.92 6.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.146 -0.971 . . . . 0.0 109.223 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 42.0 mtm-85 -64.24 -40.14 95.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.229 -0.919 . . . . 0.0 108.96 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 2.3 t -60.07 -45.03 94.25 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.271 -0.893 . . . . 0.0 109.543 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.19 -41.83 93.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.116 -0.99 . . . . 0.0 108.423 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 20.8 mt -63.01 -40.08 96.71 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.5 92.53 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.544 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.29 -46.5 93.78 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.01 -48.75 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.203 -1.175 . . . . 0.0 109.696 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.07 -42.65 90.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.008 -1.057 . . . . 0.0 109.233 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -61.51 -39.64 91.73 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.225 -0.922 . . . . 0.0 109.506 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.85 -42.4 93.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.061 -1.025 . . . . 0.0 109.328 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -61.42 -40.08 93.12 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.125 -0.984 . . . . 0.0 109.262 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.22 -46.15 90.75 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.0 109.351 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.432 HE22 ' N ' ' A' ' 107' ' ' ALA . 28.7 mt-30 -61.6 -43.39 98.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.151 -0.968 . . . . 0.0 109.589 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.66 -43.64 97.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.436 -0.79 . . . . 0.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.03 -43.23 95.44 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.093 -1.004 . . . . 0.0 109.362 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -60.0 -47.46 85.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.976 -1.077 . . . . 0.0 109.481 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 94.6 t -60.49 -40.18 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.244 -0.91 . . . . 0.0 109.98 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.24 -43.14 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.121 -0.987 . . . . 0.0 108.611 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -63.08 -40.24 97.06 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.43 -0.794 . . . . 0.0 109.144 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -60.67 -40.8 93.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.389 -0.82 . . . . 0.0 109.191 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.92 -40.0 91.53 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.153 -0.967 . . . . 0.0 109.391 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -60.02 -49.51 77.39 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.171 -0.956 . . . . 0.0 109.585 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.68 -44.27 96.7 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.901 -1.124 . . . . 0.0 109.174 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.19 -41.38 92.83 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . 0.41 ' O ' ' OG1' ' C' ' 31' ' ' THR . 25.5 mt -61.02 -40.23 92.79 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.271 -0.893 . . . . 0.0 108.975 178.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . 0.448 HH12 ' CD ' ' C' ' 97' ' ' GLU . 50.8 mtt-85 -62.17 -41.68 98.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.175 -0.953 . . . . 0.0 109.331 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.491 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 93.6 mt -62.1 -41.54 98.31 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.067 -1.02 . . . . 0.0 109.641 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' C' ' 28' ' ' LEU . 62.9 p -62.64 -40.24 96.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.071 -1.018 . . . . 0.0 109.854 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.14 -41.72 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.248 -0.907 . . . . 0.0 109.546 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -59.81 -41.77 92.01 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.125 -0.984 . . . . 0.0 110.373 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.82 -50.54 66.54 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.41 -1.376 . . . . 0.0 110.281 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.2 -50.01 75.38 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.04 -1.27 . . . . 0.0 110.759 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.74 -40.09 91.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.991 -1.068 . . . . 0.0 109.989 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.446 HD22 HH21 ' C' ' 41' ' ' ARG . 44.0 t-20 -60.06 -40.29 88.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.05 -1.031 . . . . 0.0 109.428 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.51 -40.18 90.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.884 -1.135 . . . . 0.0 110.017 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.45 -40.57 91.64 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.97 -1.081 . . . . 0.0 110.145 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.425 ' O ' ' OG1' ' C' ' 43' ' ' THR . 69.6 p -60.34 -42.03 94.83 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.011 -1.056 . . . . 0.0 108.617 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.523 ' NH2' ' CG ' ' A' ' 82' ' ' ASN . 41.5 mtt-85 -65.64 -40.02 92.08 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.23 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.01 -41.67 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.159 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' C' ' 40' ' ' THR . 40.0 p -60.03 -40.38 89.15 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.807 -1.183 . . . . 0.0 109.794 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.58 -42.81 97.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.994 -1.066 . . . . 0.0 108.951 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.99 -39.86 81.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.365 -0.835 . . . . 0.0 109.273 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.45 -40.17 85.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.146 -0.971 . . . . 0.0 110.067 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -64.01 -40.26 95.95 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.982 -1.074 . . . . 0.0 109.998 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 62.1 m-85 -67.75 -38.57 83.67 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.893 -1.13 . . . . 0.0 109.889 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 83.1 mt -59.87 -40.1 87.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.663 -1.273 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -60.09 -39.83 87.45 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.934 -1.104 . . . . 0.0 108.685 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -60.04 -39.87 87.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.24 -0.913 . . . . 0.0 109.078 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' C' ' 48' ' ' TYR . 0.9 OUTLIER -59.84 -39.86 86.56 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.868 -1.145 . . . . 0.0 109.275 179.619 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.28 -35.5 73.84 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.859 -1.151 . . . . 0.0 108.739 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.99 -39.65 86.47 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.228 -0.92 . . . . 0.0 108.837 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 70.0 mt -71.4 113.32 8.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.876 -1.14 . . . . 0.0 108.984 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 35.1 m120 -134.53 -70.3 0.51 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.408 -0.807 . . . . 0.0 109.803 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.17 101.64 3.16 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.41 -0.806 . . . . 0.0 109.187 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . 0.479 ' C ' ' H ' ' C' ' 60' ' ' ALA . 72.1 m95 -116.74 150.72 37.77 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.571 -0.706 . . . . 0.0 110.255 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 54.95 7.19 0.96 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -76.23 24.01 0.14 Allowed 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.122 -1.222 . . . . 0.0 109.246 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.487 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.03 113.7 3.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.08 -1.013 . . . . 0.0 109.837 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -106.79 13.24 28.14 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.391 -0.818 . . . . 0.0 110.2 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.737 HH21 HH21 ' B' ' 63' ' ' ARG . 44.2 mtt-85 -121.87 23.39 10.09 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 177.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.524 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -150.15 151.43 33.1 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 179.256 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 6.7 t -107.18 59.91 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.112 -0.992 . . . . 0.0 109.053 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.88 158.16 42.84 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.411 -0.805 . . . . 0.0 109.918 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -126.68 132.57 51.15 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 4.9 t -97.63 119.83 36.92 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.292 -0.88 . . . . 0.0 110.539 -178.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 69' ' ' THR . . . . . 0.417 ' O ' ' CG2' ' C' ' 69' ' ' THR . 15.3 t -115.74 120.98 41.1 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.41 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 94.6 t -124.62 86.53 55.48 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 121.347 -0.846 . . . . 0.0 109.615 -179.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -84.11 66.08 7.0 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.732 2.288 . . . . 0.0 112.017 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.412 ' O ' ' C ' ' C' ' 73' ' ' PRO . 22.2 t90 -69.38 132.65 89.53 Favored Pre-proline 0 C--N 1.301 -1.533 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' C' ' 72' ' ' TRP . 79.8 Cg_exo -40.2 148.39 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.205 0 C-N-CA 121.335 1.357 . . . . 0.0 111.0 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.531 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 8.8 t-20 -129.97 -53.07 1.13 Allowed 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.45 124.0 33.54 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.8 m -80.4 110.28 15.7 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.794 -1.191 . . . . 0.0 108.078 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 mt -79.96 136.86 36.72 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.748 0.785 . . . . 0.0 109.716 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 5.9 t -89.67 114.73 61.73 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.664 -0.648 . . . . 0.0 109.366 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -90.73 -47.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.031 0 C-N-CA 121.697 1.598 . . . . 0.0 113.809 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -122.08 -44.28 2.29 Favored 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -177.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.599 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.5 p90 -59.84 -47.32 86.21 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.375 -1.453 . . . . 0.0 112.882 -175.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.599 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.0 t30 -74.59 -46.55 37.94 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 119.864 -1.773 . . . . 0.0 110.569 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -60.09 -50.02 75.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.02 -1.05 . . . . 0.0 110.677 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -63.04 -42.95 99.86 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.702 -1.249 . . . . 0.0 109.412 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 85' ' ' THR . . . . . 0.435 ' HG1' ' N ' ' C' ' 86' ' ' TRP . 71.1 p -70.1 -39.99 75.21 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.198 -0.939 . . . . 0.0 109.82 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . 0.435 ' N ' ' HG1' ' C' ' 85' ' ' THR . 35.5 t-105 -68.82 -40.1 79.69 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.354 -179.329 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.09 -41.81 93.27 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.644 -1.285 . . . . 0.0 108.751 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.01 -41.78 97.19 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.956 -1.09 . . . . 0.0 108.474 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.451 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 71.1 t90 -60.04 -49.86 76.0 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.36 -42.74 99.19 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.342 -0.849 . . . . 0.0 109.921 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.65 -41.97 98.26 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.186 -0.946 . . . . 0.0 110.454 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -60.12 -42.02 93.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.94 -1.1 . . . . 0.0 109.171 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.67 -40.43 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.398 -0.814 . . . . 0.0 109.395 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.17 -40.42 95.96 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.2 -0.937 . . . . 0.0 110.895 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -69.99 -39.93 75.62 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.975 -1.078 . . . . 0.0 109.723 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 96.1 mt -68.51 -40.0 81.01 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.114 -0.991 . . . . 0.0 108.815 179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . 0.448 ' CD ' HH12 ' C' ' 29' ' ' ARG . 88.6 tt0 -60.82 -46.01 92.21 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 121.138 -0.976 . . . . 0.0 109.617 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.35 -40.24 96.75 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.003 -1.061 . . . . 0.0 109.459 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -64.14 -40.43 96.14 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.377 -0.827 . . . . 0.0 110.333 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.83 -40.44 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.079 -1.013 . . . . 0.0 109.523 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 44.1 p -63.1 -42.02 99.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.015 -1.053 . . . . 0.0 109.703 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.82 -46.59 84.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.09 -1.006 . . . . 0.0 109.187 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.41 -46.54 89.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.41 -0.806 . . . . 0.0 109.453 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.46 -41.5 97.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.042 -1.036 . . . . 0.0 109.806 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.0 -46.15 90.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.268 -0.895 . . . . 0.0 108.978 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.85 -42.27 99.68 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.6 98.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.332 -0.855 . . . . 0.0 110.008 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.79 -42.95 98.56 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.924 -1.11 . . . . 0.0 109.99 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.43 -41.85 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.132 -0.98 . . . . 0.0 109.448 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -69.85 -40.12 75.98 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -59.99 -49.9 75.86 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.194 -0.942 . . . . 0.0 109.352 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.8 -42.31 98.85 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.324 -0.86 . . . . 0.0 109.325 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -62.58 -40.26 96.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.281 -0.887 . . . . 0.0 110.126 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -65.53 -41.83 92.63 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.009 -1.057 . . . . 0.0 109.326 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 60.5 ttm -69.82 -39.97 76.18 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.355 -0.841 . . . . 0.0 108.791 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.86 -46.49 89.14 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.37 -0.831 . . . . 0.0 108.792 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.24 -40.05 92.59 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.456 -0.778 . . . . 0.0 109.19 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.04 -40.66 90.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.398 -0.813 . . . . 0.0 109.071 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.8 mt-30 -61.36 -40.42 94.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.887 . . . . 0.0 109.786 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -60.06 -39.3 85.53 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.09 -1.006 . . . . 0.0 109.307 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.62 -46.92 87.55 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -130.41 62.34 1.58 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.388 -0.82 . . . . 0.0 109.494 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.494 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 118.113 -0.946 . . . . 0.0 108.906 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.524 HE22 HE22 ' B' ' 2' ' ' GLN . 97.3 mm-40 -69.96 145.17 52.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.259 -0.9 . . . . 0.0 109.116 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -88.23 61.64 6.33 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.14 -0.975 . . . . 0.0 109.147 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.46 ' HG2' HH11 ' A' ' 4' ' ' ARG . 30.2 mtt-85 -65.1 -39.91 93.82 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.401 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 9.9 t -60.04 -44.38 94.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.331 -0.856 . . . . 0.0 109.545 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.401 ' N ' ' CG2' ' A' ' 5' ' ' THR . 59.6 tp -60.09 -45.3 93.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.94 -1.1 . . . . 0.0 108.66 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.7 mt -59.98 -39.99 87.56 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.52 -0.738 . . . . 0.0 109.567 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.95 87.13 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.131 -0.98 . . . . 0.0 108.569 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.02 64.22 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.99 -46.72 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.412 -1.051 . . . . 0.0 109.542 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.96 -46.61 93.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.007 -1.058 . . . . 0.0 109.266 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.76 -39.93 90.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.326 -0.858 . . . . 0.0 109.991 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.06 -40.77 90.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.021 -1.05 . . . . 0.0 108.933 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -62.25 -41.34 98.35 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.049 -1.032 . . . . 0.0 109.261 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -61.42 -42.63 99.05 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.012 -1.055 . . . . 0.0 108.674 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.04 -40.83 98.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.312 -0.868 . . . . 0.0 109.495 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.43 -39.98 92.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.154 -0.967 . . . . 0.0 109.212 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.63 -42.98 99.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.349 -0.845 . . . . 0.0 109.294 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -60.02 -48.99 79.41 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.25 -0.907 . . . . 0.0 109.778 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.98 -40.25 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.161 -0.962 . . . . 0.0 109.707 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.06 -43.2 92.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.24 -0.913 . . . . 0.0 108.89 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -63.17 -40.45 97.58 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.9 mtt-85 -60.35 -40.05 89.34 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.3 -0.875 . . . . 0.0 109.536 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.09 -40.05 88.25 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.082 -1.011 . . . . 0.0 109.189 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -59.93 -46.11 90.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.068 -1.02 . . . . 0.0 109.428 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.28 -41.82 98.82 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.153 -0.967 . . . . 0.0 109.957 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 tp -61.12 -40.47 93.9 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.222 -0.924 . . . . 0.0 109.7 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.18 -40.02 88.55 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.906 . . . . 0.0 109.403 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.482 HH12 ' CD ' ' A' ' 97' ' ' GLU . 35.0 mtt-85 -60.0 -40.09 88.01 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.203 -0.936 . . . . 0.0 109.048 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.456 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 15.3 mt -64.9 -40.03 94.45 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.004 -1.06 . . . . 0.0 109.813 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.8 p -65.11 -40.0 93.9 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.933 -1.105 . . . . 0.0 109.739 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.61 -40.0 85.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.246 -0.909 . . . . 0.0 109.005 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -60.05 -43.42 95.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.399 -0.813 . . . . 0.0 110.268 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.3 -49.28 80.31 Favored Glycine 0 N--CA 1.49 2.26 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.353 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -60.0 -50.03 75.36 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.111 -1.229 . . . . 0.0 110.133 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -60.01 -40.08 88.0 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.16 -0.962 . . . . 0.0 110.019 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.583 HD22 HH21 ' A' ' 41' ' ' ARG . 39.9 t30 -60.04 -40.61 89.96 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.086 -1.009 . . . . 0.0 109.701 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.21 -39.95 88.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.16 -0.963 . . . . 0.0 109.736 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -60.0 -41.95 93.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.028 -1.045 . . . . 0.0 109.882 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.416 ' O ' ' OG1' ' A' ' 43' ' ' THR . 40.4 p -60.48 -41.31 93.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.717 -1.239 . . . . 0.0 108.642 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.583 HH21 HD22 ' A' ' 37' ' ' ASN . 35.0 mtt-85 -64.32 -39.81 94.64 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.0 -42.59 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.391 -0.818 . . . . 0.0 109.293 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 40' ' ' THR . 71.6 p -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.056 -1.027 . . . . 0.0 109.968 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.86 92.81 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.105 -0.997 . . . . 0.0 108.966 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.64 -38.65 79.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.478 -0.764 . . . . 0.0 109.408 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.166 -0.959 . . . . 0.0 108.826 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -59.99 -44.13 94.72 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.519 -0.738 . . . . 0.0 109.623 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 68.0 m-85 -68.31 -38.36 81.52 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.174 -0.954 . . . . 0.0 109.752 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.9 -40.09 87.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.041 -1.037 . . . . 0.0 108.869 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -59.95 -40.02 87.57 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.684 -1.26 . . . . 0.0 108.223 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -60.0 -39.02 84.32 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.256 -0.903 . . . . 0.0 108.736 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.622 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.77 -40.06 86.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 109.044 179.751 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.622 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -58.25 -35.58 71.94 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.002 -1.061 . . . . 0.0 108.938 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.96 -39.87 87.08 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.197 -0.939 . . . . 0.0 109.172 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.6 mt -73.74 113.09 10.48 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.004 -1.06 . . . . 0.0 109.124 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 26.5 m120 -133.41 -70.1 0.54 Allowed 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.367 -0.833 . . . . 0.0 109.05 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.89 88.02 1.51 Allowed 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.52 ' C ' ' H ' ' A' ' 60' ' ' ALA . 60.6 m95 -103.2 151.07 23.06 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.307 -0.87 . . . . 0.0 110.944 -178.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.515 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 51.49 9.42 0.43 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -74.87 23.73 0.1 Allowed 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.296 -1.12 . . . . 0.0 108.877 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.515 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -155.57 109.85 2.88 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.158 -0.964 . . . . 0.0 110.217 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -105.05 12.84 31.73 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.266 -0.896 . . . . 0.0 109.739 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.497 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -117.64 21.89 12.7 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 177.695 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.497 ' NE2' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -151.02 152.57 33.68 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 179.358 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -107.1 60.13 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.043 -1.035 . . . . 0.0 109.222 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.1 157.88 43.32 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.216 -0.927 . . . . 0.0 109.436 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -124.88 133.0 53.24 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.2 t -97.54 120.08 37.25 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.33 -0.856 . . . . 0.0 110.759 -178.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.52 121.88 44.85 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.419 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 59.8 t -129.41 87.77 52.34 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.269 -0.894 . . . . 0.0 109.232 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -84.67 67.3 6.43 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.788 2.325 . . . . 0.0 112.266 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.417 ' O ' ' C ' ' A' ' 73' ' ' PRO . 32.6 t90 -69.03 130.16 91.64 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.459 -0.776 . . . . 0.0 109.096 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' TRP . 91.5 Cg_exo -39.2 148.33 0.12 Allowed 'Trans proline' 0 N--CA 1.487 1.138 0 C-N-CA 121.337 1.358 . . . . 0.0 111.473 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.555 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 19.5 t-20 -127.34 -52.63 1.39 Allowed 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.03 125.12 34.38 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.2 t -81.81 106.65 13.91 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.9 mt -80.71 135.8 36.07 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.682 0.753 . . . . 0.0 110.273 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 3.7 t -92.58 113.94 60.95 Favored Pre-proline 0 N--CA 1.492 1.674 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 179.267 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -89.67 -47.67 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.195 0 C-N-CA 121.762 1.642 . . . . 0.0 114.337 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -121.58 -44.45 2.34 Favored 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.2 p90 -59.91 -48.84 80.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.343 -1.473 . . . . 0.0 112.25 -175.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.623 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.3 t30 -70.91 -43.76 67.61 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.194 -1.566 . . . . 0.0 110.558 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -60.01 -49.99 75.51 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.037 -1.039 . . . . 0.0 110.705 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.91 -45.57 94.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.879 -1.138 . . . . 0.0 109.519 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.476 ' HG1' ' N ' ' A' ' 86' ' ' TRP . 76.5 p -68.21 -40.0 82.26 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.301 -0.874 . . . . 0.0 109.892 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.476 ' N ' ' HG1' ' A' ' 85' ' ' THR . 34.4 t-105 -68.38 -40.07 81.54 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.966 -1.084 . . . . 0.0 109.715 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -59.98 -41.73 92.65 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.935 -1.103 . . . . 0.0 108.957 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -62.77 -42.25 99.6 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.038 -1.039 . . . . 0.0 108.397 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.45 ' CZ3' ' CZ2' ' A' ' 86' ' ' TRP . 60.7 t90 -59.93 -49.97 75.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.464 -0.772 . . . . 0.0 109.822 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -66.46 -40.59 89.46 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.334 -0.854 . . . . 0.0 109.572 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.64 -40.0 88.5 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.266 -0.896 . . . . 0.0 109.911 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -60.13 -43.85 95.38 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.971 -1.081 . . . . 0.0 108.963 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.11 -40.71 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.153 -0.967 . . . . 0.0 109.274 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -60.08 -40.14 88.52 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.356 -0.84 . . . . 0.0 110.723 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -69.36 -39.94 77.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.883 -1.135 . . . . 0.0 109.418 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.91 -40.22 91.29 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.155 -0.966 . . . . 0.0 108.506 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.482 ' CD ' HH12 ' A' ' 29' ' ' ARG . 87.6 tt0 -60.04 -47.34 86.25 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.435 -0.791 . . . . 0.0 109.186 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.99 -40.0 96.45 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.269 -0.894 . . . . 0.0 109.707 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -65.98 -39.96 90.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.007 -1.058 . . . . 0.0 109.538 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.66 -40.41 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.185 -0.947 . . . . 0.0 109.18 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -61.99 -40.01 94.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.172 -0.955 . . . . 0.0 109.652 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.49 77.43 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.224 -0.923 . . . . 0.0 109.829 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.54 -41.15 98.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.911 -1.118 . . . . 0.0 109.252 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.54 -46.91 88.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.093 -1.004 . . . . 0.0 108.672 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.07 -47.76 84.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.241 -0.912 . . . . 0.0 109.108 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.33 -40.91 92.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.288 -0.883 . . . . 0.0 109.494 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.46 99.56 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.343 -0.848 . . . . 0.0 109.711 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.94 -46.09 92.07 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.155 -0.965 . . . . 0.0 109.546 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.97 -48.22 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.259 -0.901 . . . . 0.0 109.19 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -68.02 -40.0 83.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.379 -0.826 . . . . 0.0 109.827 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -59.97 -49.93 75.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.123 -0.986 . . . . 0.0 109.675 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.21 -44.01 97.55 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.183 -0.948 . . . . 0.0 109.139 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.43 -43.25 99.28 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.351 -0.843 . . . . 0.0 109.809 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -63.59 -43.44 96.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.1 -1.0 . . . . 0.0 109.517 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.53 -40.03 80.9 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.129 -0.982 . . . . 0.0 108.657 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -60.01 -48.58 81.13 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.492 -0.755 . . . . 0.0 109.312 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.85 -39.9 95.81 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.127 -0.983 . . . . 0.0 109.496 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.0 -40.19 92.58 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.254 -0.904 . . . . 0.0 109.582 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.0 mt-30 -60.55 -41.84 95.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.071 -1.018 . . . . 0.0 110.055 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -60.46 -39.47 87.68 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.078 -1.014 . . . . 0.0 109.491 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.9 mt -59.36 -47.66 84.59 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -124.1 60.12 1.14 Allowed 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 117.963 -1.017 . . . . 0.0 108.943 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.197 0.522 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.556 ' NE2' HE22 ' C' ' 2' ' ' GLN . 97.0 mm-40 -69.91 145.12 52.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.268 -0.895 . . . . 0.0 109.127 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -88.11 61.54 6.34 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.084 -1.01 . . . . 0.0 109.167 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.457 ' HG2' HH11 ' B' ' 4' ' ' ARG . 30.1 mtt-85 -65.11 -39.78 93.59 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 9.7 t -59.99 -44.44 94.51 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.39 -0.819 . . . . 0.0 109.538 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.408 ' N ' ' CG2' ' B' ' 5' ' ' THR . 59.8 tp -60.02 -45.45 92.75 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.009 -1.057 . . . . 0.0 108.611 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.7 mt -59.93 -39.81 86.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.546 -0.721 . . . . 0.0 109.63 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.03 87.73 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.118 -0.989 . . . . 0.0 108.597 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.37 -46.34 64.17 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.9 -46.67 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -1.096 . . . . 0.0 109.611 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 63.5 t -60.0 -46.74 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.072 -1.017 . . . . 0.0 109.292 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.45 -40.06 89.78 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.271 -0.893 . . . . 0.0 109.87 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.05 -40.64 90.11 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.041 -1.037 . . . . 0.0 109.105 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -62.31 -41.35 98.46 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.899 -1.126 . . . . 0.0 109.274 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.61 -42.32 98.71 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.167 -0.958 . . . . 0.0 108.603 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -63.4 -40.6 97.65 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.391 -0.818 . . . . 0.0 109.454 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.58 -40.02 92.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.019 -1.051 . . . . 0.0 109.225 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.48 -43.24 99.22 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.266 -0.896 . . . . 0.0 109.155 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -60.07 -48.93 79.65 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.316 -0.865 . . . . 0.0 109.772 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.95 -40.14 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.078 -1.014 . . . . 0.0 109.767 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.97 -43.11 91.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 121.21 -0.931 . . . . 0.0 108.854 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -63.42 -40.28 96.75 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -60.46 -39.97 89.51 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.392 -0.818 . . . . 0.0 109.558 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.1 -39.97 88.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.065 -1.022 . . . . 0.0 109.239 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -60.07 -45.71 91.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.048 -1.032 . . . . 0.0 109.386 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.03 -41.21 99.47 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.126 -0.984 . . . . 0.0 109.917 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.1 tp -61.45 -40.54 94.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.024 -1.047 . . . . 0.0 109.617 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 87.0 mt -59.96 -40.1 87.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.164 -0.96 . . . . 0.0 109.474 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.484 HH12 ' CD ' ' B' ' 97' ' ' GLU . 35.2 mtt-85 -59.95 -40.04 87.63 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.154 -0.967 . . . . 0.0 109.04 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.479 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 15.2 mt -65.05 -40.11 94.3 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.009 -1.057 . . . . 0.0 109.848 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 78.7 p -65.06 -39.91 93.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.913 -1.117 . . . . 0.0 109.654 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.74 -39.89 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.958 . . . . 0.0 109.012 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -60.04 -43.61 95.24 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.351 -0.843 . . . . 0.0 110.301 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -49.46 78.29 Favored Glycine 0 N--CA 1.49 2.252 0 C-N-CA 119.78 -1.2 . . . . 0.0 110.339 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.93 -50.04 75.34 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.036 -1.273 . . . . 0.0 110.102 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -59.99 -40.02 87.76 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.206 -0.934 . . . . 0.0 109.982 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.591 HD22 HH21 ' B' ' 41' ' ' ARG . 39.8 t30 -60.23 -40.47 90.34 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.192 -0.943 . . . . 0.0 109.687 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.21 -40.07 88.82 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.061 -1.024 . . . . 0.0 109.712 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -59.92 -41.9 92.77 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.042 -1.037 . . . . 0.0 110.039 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' B' ' 43' ' ' THR . 43.1 p -60.48 -41.28 93.89 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.731 -1.231 . . . . 0.0 108.546 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.591 HH21 HD22 ' B' ' 37' ' ' ASN . 35.0 mtt-85 -64.16 -40.04 95.28 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.96 -42.71 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.54 -0.725 . . . . 0.0 109.186 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' B' ' 40' ' ' THR . 70.8 p -60.0 -40.02 87.79 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.99 -1.069 . . . . 0.0 110.079 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.9 92.86 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.08 -1.013 . . . . 0.0 108.889 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.51 -38.81 79.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.52 -0.737 . . . . 0.0 109.467 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.145 -0.972 . . . . 0.0 108.758 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -60.06 -44.1 94.94 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.531 -0.73 . . . . 0.0 109.574 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 67.6 m-85 -68.21 -38.36 81.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.219 -0.925 . . . . 0.0 109.811 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 64.2 mt -59.89 -40.11 87.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.092 -1.005 . . . . 0.0 108.818 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.05 -39.97 87.8 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.651 -1.281 . . . . 0.0 108.176 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -59.95 -39.08 84.32 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.244 -0.91 . . . . 0.0 108.727 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.623 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -59.85 -39.99 87.03 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.233 -0.917 . . . . 0.0 109.068 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.623 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -58.24 -35.53 71.86 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.899 -1.125 . . . . 0.0 108.901 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.93 -39.89 87.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.193 -0.942 . . . . 0.0 109.174 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 84.0 mt -73.76 113.08 10.5 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.944 -1.097 . . . . 0.0 109.087 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 26.4 m120 -133.53 -70.12 0.53 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.374 -0.829 . . . . 0.0 109.014 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.62 88.06 1.54 Allowed 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.503 ' C ' ' H ' ' B' ' 60' ' ' ALA . 60.5 m95 -103.25 151.3 22.82 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.465 -0.772 . . . . 0.0 111.055 -178.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 51.14 9.94 0.41 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.503 ' H ' ' C ' ' B' ' 58' ' ' TRP . . . -75.39 23.48 0.11 Allowed 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.246 -1.15 . . . . 0.0 108.85 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -155.13 109.63 2.95 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.196 -0.94 . . . . 0.0 110.219 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -104.81 12.69 32.36 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.283 -0.886 . . . . 0.0 109.776 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.499 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -117.51 21.95 12.71 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 177.727 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.499 ' NE2' ' C ' ' B' ' 63' ' ' ARG . 0.0 OUTLIER -151.13 152.5 33.46 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 179.331 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -107.1 60.12 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 120.997 -1.064 . . . . 0.0 109.137 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.85 158.03 43.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.239 -0.913 . . . . 0.0 109.424 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -125.14 132.85 53.01 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 5.1 t -97.58 119.97 37.12 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.307 -0.871 . . . . 0.0 110.736 -177.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.39 121.91 45.03 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.42 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 61.3 t -129.36 87.91 52.12 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.257 -0.902 . . . . 0.0 109.192 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -84.8 67.27 6.33 Favored 'Trans proline' 0 N--CA 1.488 1.199 0 C-N-CA 122.841 2.36 . . . . 0.0 112.267 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.406 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 32.4 t90 -69.06 130.2 91.57 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.416 -0.802 . . . . 0.0 109.092 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.406 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 92.4 Cg_exo -39.21 148.3 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.32 1.347 . . . . 0.0 111.541 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.566 HD21 ' NE2' ' B' ' 52' ' ' GLN . 19.9 t-20 -127.27 -52.52 1.39 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.11 125.27 34.49 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 29.1 t -81.89 106.55 13.9 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 44.6 mt -80.69 135.91 36.09 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.694 0.759 . . . . 0.0 110.13 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 3.4 t -92.83 113.85 60.88 Favored Pre-proline 0 N--CA 1.494 1.736 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -89.64 -47.63 0.03 OUTLIER 'Trans proline' 0 N--CA 1.487 1.127 0 C-N-CA 121.788 1.659 . . . . 0.0 114.28 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -121.55 -44.56 2.34 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -176.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.618 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.3 p90 -59.99 -48.66 80.79 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.375 -1.453 . . . . 0.0 112.233 -175.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.618 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.2 t30 -71.13 -43.72 67.03 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.239 -1.538 . . . . 0.0 110.486 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -60.01 -50.08 75.13 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.041 -1.037 . . . . 0.0 110.637 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.58 -45.51 93.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.861 -1.149 . . . . 0.0 109.656 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.482 ' HG1' ' N ' ' B' ' 86' ' ' TRP . 75.0 p -68.49 -40.0 81.07 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.261 -0.899 . . . . 0.0 109.847 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . 0.482 ' N ' ' HG1' ' B' ' 85' ' ' THR . 34.2 t-105 -68.33 -40.06 81.75 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 118.994 -1.083 . . . . 0.0 109.734 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -59.96 -41.79 92.7 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.911 -1.118 . . . . 0.0 108.969 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.62 -42.05 99.36 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.077 -1.014 . . . . 0.0 108.582 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.456 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.7 t90 -60.09 -49.95 75.63 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.49 -0.756 . . . . 0.0 109.717 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -66.07 -41.21 91.04 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.161 -0.962 . . . . 0.0 109.543 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.1 -39.97 90.39 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.292 -0.88 . . . . 0.0 110.106 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -60.53 -43.65 96.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.115 -0.991 . . . . 0.0 108.862 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.2 -40.56 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.215 -0.928 . . . . 0.0 109.378 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -60.16 -40.0 88.36 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.382 -0.824 . . . . 0.0 110.805 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -69.48 -40.01 77.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.875 -1.14 . . . . 0.0 109.368 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.84 -40.27 91.58 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.078 -1.013 . . . . 0.0 108.541 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . 0.484 ' CD ' HH12 ' B' ' 29' ' ' ARG . 88.1 tt0 -59.98 -47.18 86.89 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.458 -0.776 . . . . 0.0 109.186 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.25 -40.01 96.22 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.279 -0.888 . . . . 0.0 109.696 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -65.75 -40.0 91.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.011 -1.056 . . . . 0.0 109.401 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.1 mt -65.69 -40.79 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.27 -0.894 . . . . 0.0 109.186 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 40.9 p -61.67 -40.02 93.46 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.035 -1.04 . . . . 0.0 109.753 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.96 -49.77 76.36 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.124 -0.985 . . . . 0.0 109.877 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.4 mt -62.04 -41.59 98.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.968 -1.083 . . . . 0.0 109.3 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.17 -47.01 87.75 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.055 -1.028 . . . . 0.0 108.695 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.04 -47.95 83.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.206 -0.934 . . . . 0.0 109.038 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.09 -41.22 92.02 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 0.0 109.517 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.24 99.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 0.0 109.839 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.25 -45.83 92.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.19 -0.944 . . . . 0.0 109.54 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.99 -48.52 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.901 . . . . 0.0 109.172 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.78 -39.94 84.01 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.397 -0.814 . . . . 0.0 109.816 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.11 -50.01 75.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.132 -0.98 . . . . 0.0 109.647 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.12 -43.88 97.86 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.142 -0.974 . . . . 0.0 109.104 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.63 -42.7 99.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.369 -0.832 . . . . 0.0 109.879 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -64.28 -42.85 96.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.033 -1.042 . . . . 0.0 109.544 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -68.83 -40.06 79.66 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.209 -0.932 . . . . 0.0 108.572 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -59.99 -48.57 81.16 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.447 -0.783 . . . . 0.0 109.387 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.82 -40.04 96.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.099 -1.001 . . . . 0.0 109.384 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.7 -40.57 92.71 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.344 -0.848 . . . . 0.0 109.704 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.3 mt-30 -60.38 -42.02 94.97 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.106 -0.996 . . . . 0.0 110.002 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -60.14 -39.42 86.23 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.172 -0.955 . . . . 0.0 109.667 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 94.8 mt -59.54 -47.89 83.79 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -124.02 60.03 1.13 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.769 0 O-C-N 121.025 -1.047 . . . . 0.0 108.919 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.213 0.53 . . . . 0.0 109.695 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.556 HE22 ' NE2' ' B' ' 2' ' ' GLN . 96.3 mm-40 -70.03 145.22 51.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.194 -0.941 . . . . 0.0 109.071 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -88.32 61.58 6.26 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.134 -0.979 . . . . 0.0 109.194 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.455 ' HG2' HH11 ' C' ' 4' ' ' ARG . 29.8 mtt-85 -65.12 -39.9 93.73 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.508 -0.745 . . . . 0.0 109.033 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 9.8 t -60.04 -44.46 94.64 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.46 -0.775 . . . . 0.0 109.561 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.406 ' N ' ' CG2' ' C' ' 5' ' ' THR . 60.1 tp -59.91 -45.34 92.88 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.032 -1.043 . . . . 0.0 108.649 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.9 -40.04 87.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.514 -0.742 . . . . 0.0 109.678 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.04 87.14 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.152 -0.968 . . . . 0.0 108.594 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.49 -46.12 64.44 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.04 -46.73 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.387 -1.066 . . . . 0.0 109.606 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.99 -46.8 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.072 -1.017 . . . . 0.0 109.192 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.59 -39.97 90.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.157 -0.964 . . . . 0.0 109.99 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.99 -40.64 89.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.034 -1.041 . . . . 0.0 109.108 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -62.42 -40.8 97.73 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.066 -1.021 . . . . 0.0 109.325 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -61.78 -42.75 99.39 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.081 -1.012 . . . . 0.0 108.675 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.75 -41.36 99.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.286 -0.884 . . . . 0.0 109.568 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.95 -40.04 94.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.126 -0.984 . . . . 0.0 109.276 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.67 -42.97 99.64 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.376 -0.828 . . . . 0.0 109.246 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.94 -49.1 79.01 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.291 -0.88 . . . . 0.0 109.88 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.05 -40.02 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.043 -1.036 . . . . 0.0 109.667 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.01 -43.2 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.152 -0.967 . . . . 0.0 108.926 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -63.33 -40.48 97.41 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 54.5 mtt-85 -60.36 -40.08 89.49 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.387 -0.821 . . . . 0.0 109.592 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.0 -40.08 87.99 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.174 -0.954 . . . . 0.0 109.231 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -59.94 -45.88 91.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.009 -1.057 . . . . 0.0 109.455 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.71 -41.42 99.13 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.197 -0.939 . . . . 0.0 109.872 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.5 tp -61.27 -40.65 94.9 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.205 -0.935 . . . . 0.0 109.668 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.07 -39.89 87.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.306 -0.871 . . . . 0.0 109.543 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . 0.489 HH12 ' CD ' ' C' ' 97' ' ' GLU . 34.4 mtt-85 -60.05 -40.01 87.95 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.223 -0.923 . . . . 0.0 108.986 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.44 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 15.3 mt -65.22 -39.99 93.5 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.045 -1.034 . . . . 0.0 109.767 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -64.94 -40.04 94.43 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.958 -1.089 . . . . 0.0 109.691 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.73 -40.01 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.232 -0.918 . . . . 0.0 109.084 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -59.96 -43.43 95.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.472 -0.767 . . . . 0.0 110.3 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.33 -49.47 78.21 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 119.84 -1.171 . . . . 0.0 110.301 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -59.96 -50.07 75.18 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.065 -1.256 . . . . 0.0 109.952 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -59.92 -39.98 87.31 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.198 -0.939 . . . . 0.0 110.07 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.612 HD22 HH21 ' C' ' 41' ' ' ARG . 39.8 t30 -60.1 -40.72 90.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.151 -0.968 . . . . 0.0 109.686 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.12 -40.06 88.42 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.154 -0.966 . . . . 0.0 109.702 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -60.01 -41.57 92.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.074 -1.016 . . . . 0.0 109.921 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' C' ' 43' ' ' THR . 43.1 p -60.73 -41.3 95.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.736 -1.228 . . . . 0.0 108.503 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.612 HH21 HD22 ' C' ' 37' ' ' ASN . 35.0 mtt-85 -64.2 -39.98 95.11 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.05 -42.51 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.473 -0.767 . . . . 0.0 109.227 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' C' ' 40' ' ' THR . 69.2 p -60.03 -40.04 87.96 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.102 -0.999 . . . . 0.0 110.093 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.77 92.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.112 -0.993 . . . . 0.0 108.916 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 91.3 mt -60.65 -38.66 79.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.486 -0.759 . . . . 0.0 109.428 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.88 -40.12 87.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.192 -0.942 . . . . 0.0 108.896 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -60.06 -43.85 95.13 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.451 -0.78 . . . . 0.0 109.645 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.555 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 68.4 m-85 -68.67 -38.17 80.19 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.166 -0.959 . . . . 0.0 109.791 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 61.4 mt -59.89 -40.05 87.41 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.006 -1.059 . . . . 0.0 108.846 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -59.94 -40.04 87.61 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.738 -1.226 . . . . 0.0 108.226 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.0 -39.13 84.69 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.138 -0.976 . . . . 0.0 108.665 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.627 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.83 -40.03 87.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.182 -0.949 . . . . 0.0 109.081 179.836 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . 0.627 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -58.17 -35.52 71.69 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.945 -1.097 . . . . 0.0 108.955 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -59.91 -40.02 87.38 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.161 -0.962 . . . . 0.0 109.109 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 83.8 mt -73.73 113.14 10.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.97 -1.081 . . . . 0.0 109.086 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 27.0 m120 -133.55 -69.98 0.54 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.323 -0.86 . . . . 0.0 109.132 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.26 88.25 1.5 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . 0.491 ' C ' ' H ' ' C' ' 60' ' ' ALA . 60.8 m95 -103.36 151.27 22.94 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.426 -0.796 . . . . 0.0 110.952 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.518 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 51.56 9.43 0.45 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 178.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . 0.491 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -75.11 24.17 0.1 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.331 -1.099 . . . . 0.0 108.956 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.06 109.64 2.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.256 -0.903 . . . . 0.0 110.248 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -104.86 12.64 32.33 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.285 -0.885 . . . . 0.0 109.757 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.499 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -117.49 22.06 12.64 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 177.716 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.499 ' NE2' ' C ' ' C' ' 63' ' ' ARG . 0.0 OUTLIER -151.25 152.53 33.37 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 179.464 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 t -107.18 60.25 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.112 -0.993 . . . . 0.0 109.176 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.97 157.8 43.35 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.356 -0.84 . . . . 0.0 109.375 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -124.97 132.9 53.2 Favored 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 5.1 t -97.59 120.23 37.59 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.339 -0.851 . . . . 0.0 110.756 -178.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.46 121.82 44.7 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.432 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 60.0 t -129.21 87.62 53.39 Favored Pre-proline 0 N--CA 1.499 2.01 0 O-C-N 121.371 -0.831 . . . . 0.0 109.127 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.63 67.38 6.45 Favored 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 122.739 2.293 . . . . 0.0 112.329 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.414 ' O ' ' C ' ' C' ' 73' ' ' PRO . 31.8 t90 -69.02 130.31 91.54 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.502 -0.749 . . . . 0.0 109.132 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' C' ' 72' ' ' TRP . 91.1 Cg_exo -39.35 148.28 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.173 0 C-N-CA 121.374 1.382 . . . . 0.0 111.399 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.552 HD21 ' NE2' ' C' ' 52' ' ' GLN . 19.9 t-20 -127.31 -52.44 1.39 Allowed 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.09 125.22 34.47 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 30.6 t -81.81 106.5 13.79 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 45.7 mt -80.66 135.87 36.1 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.6 0.714 . . . . 0.0 110.226 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 3.5 t -92.9 113.64 60.34 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -89.48 -47.67 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.169 0 C-N-CA 121.836 1.691 . . . . 0.0 114.251 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -121.65 -44.3 2.34 Favored 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.62 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.3 p90 -60.07 -48.9 79.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.302 -1.499 . . . . 0.0 112.156 -175.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.62 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.3 t30 -70.87 -43.82 67.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.194 -1.566 . . . . 0.0 110.578 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -60.07 -49.94 75.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.025 -1.047 . . . . 0.0 110.688 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.6 -45.6 93.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.786 -1.196 . . . . 0.0 109.58 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 85' ' ' THR . . . . . 0.47 ' HG1' ' N ' ' C' ' 86' ' ' TRP . 79.9 p -68.56 -39.91 80.86 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.284 -0.885 . . . . 0.0 109.801 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . 0.47 ' N ' ' HG1' ' C' ' 85' ' ' THR . 34.3 t-105 -68.36 -40.05 81.62 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.965 -1.084 . . . . 0.0 109.696 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -59.92 -41.9 92.74 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.891 -1.131 . . . . 0.0 109.012 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.53 -42.33 99.45 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.391 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.479 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.0 t90 -60.11 -49.97 75.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.501 -0.749 . . . . 0.0 109.825 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -65.93 -40.93 91.82 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.221 -0.924 . . . . 0.0 109.481 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.42 -40.13 89.35 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.238 -0.913 . . . . 0.0 110.03 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -60.14 -43.8 95.44 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.045 -1.034 . . . . 0.0 109.001 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.07 -40.55 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.22 -0.925 . . . . 0.0 109.395 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -60.0 -40.42 89.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.414 -0.804 . . . . 0.0 110.803 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -69.31 -39.88 78.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.933 -1.104 . . . . 0.0 109.417 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 83.5 mt -65.95 -40.26 91.19 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.135 -0.978 . . . . 0.0 108.468 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . 0.489 ' CD ' HH12 ' C' ' 29' ' ' ARG . 87.7 tt0 -59.95 -47.76 84.5 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.431 -0.793 . . . . 0.0 109.103 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.6 -40.0 95.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.313 -0.867 . . . . 0.0 109.782 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -65.85 -40.16 91.45 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.089 -1.007 . . . . 0.0 109.429 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.63 -40.36 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.156 -0.965 . . . . 0.0 109.184 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.9 p -62.09 -39.99 94.34 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.131 -0.981 . . . . 0.0 109.698 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.76 76.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.118 -0.989 . . . . 0.0 109.883 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.11 -41.56 98.34 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.949 -1.094 . . . . 0.0 109.184 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.11 -47.0 87.71 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.152 -0.967 . . . . 0.0 108.799 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.08 -47.59 85.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.304 -0.872 . . . . 0.0 109.167 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.53 -40.92 93.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.377 -0.827 . . . . 0.0 109.433 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.0 99.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.272 -0.892 . . . . 0.0 109.758 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.28 -45.78 93.07 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.133 -0.98 . . . . 0.0 109.629 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.91 -48.49 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.227 -0.921 . . . . 0.0 109.149 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.96 -40.01 83.28 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.41 -0.806 . . . . 0.0 109.725 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -59.99 -50.02 75.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.054 -1.029 . . . . 0.0 109.683 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.94 -44.46 96.72 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.242 -0.911 . . . . 0.0 109.098 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.09 -43.2 99.35 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.268 -0.895 . . . . 0.0 109.779 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -63.71 -43.32 96.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.015 -1.053 . . . . 0.0 109.581 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.45 -40.03 81.24 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.221 -0.924 . . . . 0.0 108.573 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -59.98 -48.68 80.7 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.432 -0.792 . . . . 0.0 109.363 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.95 -39.97 96.25 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.164 -0.96 . . . . 0.0 109.349 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.78 -40.49 92.79 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.236 -0.915 . . . . 0.0 109.558 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.2 mt-30 -60.07 -42.65 95.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.072 -1.018 . . . . 0.0 109.966 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -59.93 -38.79 83.4 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.15 -0.969 . . . . 0.0 109.821 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.89 -47.64 84.95 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -124.11 59.75 1.15 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.517 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 117.99 -1.005 . . . . 0.0 108.968 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -77.73 146.06 36.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.229 -0.919 . . . . 0.0 109.389 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.403 ' O ' ' OG ' ' A' ' 3' ' ' SER . 30.9 p -88.67 61.97 6.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.256 -0.902 . . . . 0.0 109.074 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -63.93 -39.98 95.4 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.372 -0.83 . . . . 0.0 109.336 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.83 -41.73 96.35 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.199 -0.938 . . . . 0.0 108.997 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.6 tp -61.8 -42.42 98.98 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.106 -0.996 . . . . 0.0 108.765 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.4 mt -60.06 -39.93 87.72 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.518 -0.739 . . . . 0.0 110.073 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.0 87.91 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.032 -1.042 . . . . 0.0 108.701 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.71 -46.43 54.01 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.5 mt -59.91 -46.18 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.408 -1.054 . . . . 0.0 109.79 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.3 t -60.03 -44.48 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.061 -1.024 . . . . 0.0 108.774 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.91 -40.05 94.11 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.258 -0.901 . . . . 0.0 109.744 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -59.96 -42.16 93.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.107 -0.996 . . . . 0.0 109.305 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -60.13 -42.21 94.31 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.043 -1.036 . . . . 0.0 108.731 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.58 -43.57 98.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.311 -0.868 . . . . 0.0 109.031 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -60.13 -44.58 94.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 109.147 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.42 -42.11 98.22 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.35 -0.844 . . . . 0.0 109.484 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.27 -42.38 95.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.359 -0.838 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.97 -47.85 84.12 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.225 -0.922 . . . . 0.0 110.111 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.3 -40.77 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.04 -1.037 . . . . 0.0 109.56 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.04 -41.66 87.09 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.41 -0.806 . . . . 0.0 109.005 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -62.26 -41.15 98.2 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.505 -0.747 . . . . 0.0 109.209 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.404 HH11 ' HG2' ' A' ' 23' ' ' ARG . 52.8 mtt-85 -61.66 -40.08 93.65 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.427 -0.796 . . . . 0.0 109.856 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.94 -40.07 87.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.99 -1.069 . . . . 0.0 109.538 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -59.98 -49.95 75.67 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.178 -0.951 . . . . 0.0 108.996 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.91 -42.24 97.68 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.128 -0.982 . . . . 0.0 109.37 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.63 -40.99 93.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.344 -0.847 . . . . 0.0 109.013 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.401 ' O ' ' OG1' ' A' ' 31' ' ' THR . 17.3 mt -60.54 -40.05 90.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.348 -0.845 . . . . 0.0 109.474 179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -59.99 -40.46 89.28 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.181 -0.95 . . . . 0.0 109.388 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.445 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 95.9 mt -61.57 -41.9 98.07 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.073 -1.017 . . . . 0.0 109.514 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 81.7 p -63.37 -40.6 97.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.121 -0.987 . . . . 0.0 109.828 -179.65 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.29 -40.1 84.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.357 -0.84 . . . . 0.0 109.249 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -59.97 -43.72 94.93 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.289 -0.882 . . . . 0.0 110.451 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.07 -50.0 72.45 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.884 -1.287 . . . . 0.0 109.884 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.7 m -59.97 -49.94 75.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.101 -1.235 . . . . 0.0 109.93 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -61.68 -39.96 93.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.135 -0.978 . . . . 0.0 109.708 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.648 ' ND2' HH21 ' A' ' 41' ' ' ARG . 51.0 t-20 -60.12 -40.31 89.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.318 -0.864 . . . . 0.0 109.634 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.9 mt -60.66 -40.04 90.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.167 -0.958 . . . . 0.0 109.492 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -59.94 -40.62 89.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.1 -1.0 . . . . 0.0 109.641 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.429 ' O ' ' OG1' ' A' ' 43' ' ' THR . 80.8 p -60.07 -40.29 89.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.887 -1.133 . . . . 0.0 108.482 179.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.688 HH22 HD22 ' B' ' 82' ' ' ASN . 71.9 mtt180 -66.53 -39.97 88.88 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.1 -40.09 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.449 -0.782 . . . . 0.0 109.162 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.48 ' HG1' ' N ' ' A' ' 44' ' ' ALA . 72.2 p -60.02 -39.98 87.73 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.842 -1.161 . . . . 0.0 108.635 179.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.48 ' N ' ' HG1' ' A' ' 43' ' ' THR . . . -59.93 -43.5 94.92 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.208 -0.932 . . . . 0.0 108.9 179.073 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.1 mt -59.97 -39.71 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.447 -0.783 . . . . 0.0 109.127 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.01 -40.13 88.19 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.2 -0.937 . . . . 0.0 110.04 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -62.4 -42.15 99.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.901 -1.124 . . . . 0.0 109.033 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 54.8 m-85 -65.5 -39.57 92.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.361 -0.837 . . . . 0.0 109.777 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.8 mt -59.96 -39.58 86.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.1 -1.0 . . . . 0.0 108.816 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.03 -40.0 87.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 41.2 t0 -59.96 -40.13 88.0 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.356 -0.84 . . . . 0.0 109.096 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.527 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.8 OUTLIER -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.805 -1.184 . . . . 0.0 109.162 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.3 -35.78 74.41 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.011 -1.056 . . . . 0.0 108.712 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -59.99 -40.02 87.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.374 -0.829 . . . . 0.0 108.875 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.2 mt -71.49 113.85 8.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.07 -1.018 . . . . 0.0 109.082 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -134.29 -71.22 0.5 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.595 -0.691 . . . . 0.0 109.401 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.69 88.06 1.67 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -105.93 141.86 36.62 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.502 -0.749 . . . . 0.0 110.824 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.538 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 66.82 6.61 37.83 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.994 -1.642 . . . . 0.0 108.994 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.27 22.78 0.05 Allowed 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.557 -0.966 . . . . 0.0 109.568 -179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.538 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.74 109.73 2.34 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.171 -0.956 . . . . 0.0 109.674 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -102.22 12.29 36.94 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.196 -0.94 . . . . 0.0 110.205 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.509 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 6.1 mmt-85 -122.19 23.66 9.76 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.519 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER -148.93 151.83 35.32 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.596 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.2 t -106.69 60.78 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.162 -0.961 . . . . 0.0 109.148 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.94 157.99 43.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.193 -0.942 . . . . 0.0 110.001 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -129.41 134.31 47.79 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.9 t -96.36 122.18 38.96 Favored 'General case' 0 N--CA 1.501 2.102 0 CA-C-O 121.917 0.865 . . . . 0.0 110.931 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.51 120.85 43.05 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -130.61 81.19 68.35 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.313 -0.867 . . . . 0.0 109.032 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.7 68.34 7.63 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.842 2.361 . . . . 0.0 112.312 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.492 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 45.1 t90 -68.31 135.06 91.1 Favored Pre-proline 0 N--CA 1.49 1.566 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.492 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 91.9 Cg_exo -39.42 149.05 0.11 Allowed 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.368 1.379 . . . . 0.0 111.022 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.538 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 2.0 t30 -127.04 -59.32 1.26 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.345 -0.847 . . . . 0.0 109.034 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.38 126.46 36.47 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.4 t -80.67 109.01 14.8 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.026 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 mt -79.54 137.44 37.18 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.2 t -86.51 115.17 61.22 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.424 -0.797 . . . . 0.0 109.69 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -93.94 -45.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.031 0 C-N-CA 121.868 1.712 . . . . 0.0 113.458 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -121.41 -45.07 2.34 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.694 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 5.4 p90 -59.94 -50.11 75.03 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.395 -1.44 . . . . 0.0 113.424 -175.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.694 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 63.1 t30 -70.15 -39.73 75.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.143 -1.598 . . . . 0.0 111.015 -177.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -59.98 -49.84 76.08 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.901 -1.124 . . . . 0.0 110.387 -178.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -65.04 -41.91 94.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.525 -1.359 . . . . 0.0 109.852 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.6 p -71.72 -40.05 69.72 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.185 -0.947 . . . . 0.0 109.906 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -69.94 -39.97 75.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.012 -1.055 . . . . 0.0 109.26 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.01 -41.01 91.24 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.565 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.3 -41.44 96.99 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.112 -0.993 . . . . 0.0 108.532 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.456 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 59.1 t90 -59.98 -50.02 75.37 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.499 -0.75 . . . . 0.0 109.368 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.66 -40.47 96.92 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.369 -0.832 . . . . 0.0 109.396 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -60.19 -44.45 95.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.389 -0.819 . . . . 0.0 110.456 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -59.99 -41.84 92.95 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.816 -1.178 . . . . 0.0 109.58 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.94 -42.14 88.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.171 -0.956 . . . . 0.0 108.91 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -59.97 -45.52 92.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.416 -0.803 . . . . 0.0 110.225 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -64.61 -40.03 94.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.041 -1.037 . . . . 0.0 109.938 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.92 -40.56 83.37 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.896 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.13 -48.72 80.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.14 -0.975 . . . . 0.0 109.194 179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.84 -41.87 96.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.878 . . . . 0.0 109.502 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -65.93 -40.29 91.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.342 -0.849 . . . . 0.0 109.419 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.6 mt -68.6 -40.77 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.34 -0.85 . . . . 0.0 109.263 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 35.4 p -61.72 -41.85 98.17 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.206 -0.934 . . . . 0.0 109.199 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.93 75.75 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.301 -0.874 . . . . 0.0 109.206 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.9 mt -60.66 -42.92 97.99 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.233 -0.917 . . . . 0.0 109.33 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.8 mt -60.07 -48.5 81.44 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.141 -0.975 . . . . 0.0 109.071 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.94 -48.55 81.23 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.158 -0.964 . . . . 0.0 109.278 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.69 -42.53 97.35 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.305 -0.872 . . . . 0.0 109.169 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.3 93.84 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.314 -0.867 . . . . 0.0 109.513 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.98 -46.19 90.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.135 -0.978 . . . . 0.0 109.471 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.04 -49.83 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 109.4 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -65.47 -40.07 92.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.327 -0.858 . . . . 0.0 109.793 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -59.97 -47.26 86.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.401 -0.812 . . . . 0.0 109.49 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.37 -41.57 98.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.185 -0.947 . . . . 0.0 109.473 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -61.58 -41.34 97.26 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.275 -0.891 . . . . 0.0 109.329 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -60.03 -48.46 81.63 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.143 -0.973 . . . . 0.0 109.083 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.49 -40.16 95.15 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.237 -0.914 . . . . 0.0 108.903 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -59.96 -47.76 84.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.412 -0.805 . . . . 0.0 108.938 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.02 -39.94 93.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.17 -0.957 . . . . 0.0 109.091 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 63.5 tp -60.05 -42.91 95.47 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.508 -0.745 . . . . 0.0 109.472 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.546 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.8 mt-30 -61.02 -40.56 94.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.252 -0.905 . . . . 0.0 110.17 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.07 -39.77 87.19 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.071 -1.018 . . . . 0.0 109.016 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.24 -47.66 84.52 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -123.79 61.14 1.09 Allowed 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.185 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.352 0.596 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -77.99 146.06 35.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.287 -0.883 . . . . 0.0 109.379 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' B' ' 3' ' ' SER . 28.7 p -88.49 61.75 6.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.336 -0.853 . . . . 0.0 109.077 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -63.8 -40.07 95.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.553 -0.717 . . . . 0.0 109.289 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -41.45 95.78 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.135 -0.978 . . . . 0.0 108.981 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.2 tp -62.31 -42.24 99.2 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.06 -1.025 . . . . 0.0 108.755 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 32.6 mt -60.07 -40.07 88.26 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.52 -0.737 . . . . 0.0 109.929 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.97 87.52 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.1 -1.0 . . . . 0.0 108.778 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.67 -46.36 54.58 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.121 -1.591 . . . . 0.0 109.121 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.406 HD11 HG22 ' B' ' 10' ' ' ILE . 91.4 mt -59.97 -46.26 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.304 -1.115 . . . . 0.0 109.727 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.03 -44.5 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.015 -1.053 . . . . 0.0 108.728 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.93 -40.0 94.0 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -0.899 . . . . 0.0 109.728 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.02 -41.95 93.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.167 -0.958 . . . . 0.0 109.312 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -60.38 -42.3 95.56 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.046 -1.033 . . . . 0.0 108.762 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.58 -43.45 98.83 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.343 -0.848 . . . . 0.0 109.013 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -60.1 -44.4 94.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.306 -0.871 . . . . 0.0 109.215 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.73 -41.94 98.3 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.297 -0.877 . . . . 0.0 109.457 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.22 -42.58 95.48 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.403 -0.811 . . . . 0.0 109.349 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -60.04 -47.55 85.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.886 . . . . 0.0 110.057 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.37 -41.02 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.13 -0.981 . . . . 0.0 109.518 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.99 -41.62 86.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.27 -0.894 . . . . 0.0 109.041 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -62.21 -41.09 98.06 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.435 -0.791 . . . . 0.0 109.125 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 53.7 mtt-85 -61.72 -40.03 93.61 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.354 -0.841 . . . . 0.0 109.951 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.99 -40.06 87.85 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.92 -1.113 . . . . 0.0 109.544 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -59.97 -49.7 76.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.124 -0.985 . . . . 0.0 109.057 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.37 -41.89 97.83 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.264 -0.898 . . . . 0.0 109.385 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.95 -40.98 95.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.891 . . . . 0.0 108.956 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.41 -39.93 89.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.436 -0.79 . . . . 0.0 109.428 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.02 -40.42 89.25 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.133 -0.979 . . . . 0.0 109.354 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.482 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 96.9 mt -61.69 -41.39 97.53 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.043 -1.036 . . . . 0.0 109.576 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.5 p -63.93 -40.36 96.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.0 109.759 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.1 t -61.45 -40.15 85.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.238 -0.913 . . . . 0.0 109.23 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -60.08 -43.5 95.44 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.337 -0.852 . . . . 0.0 110.398 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.41 -49.83 74.31 Favored Glycine 0 N--CA 1.488 2.148 0 C-N-CA 119.491 -1.338 . . . . 0.0 109.792 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.4 m -59.9 -50.08 75.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.129 -1.218 . . . . 0.0 110.005 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -61.43 -40.05 93.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.111 -0.993 . . . . 0.0 109.717 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.651 ' ND2' HH21 ' B' ' 41' ' ' ARG . 51.8 t-20 -60.0 -40.86 90.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.415 -0.803 . . . . 0.0 109.487 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.25 -40.02 88.8 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.212 -0.93 . . . . 0.0 109.507 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -59.98 -40.51 89.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.068 -1.02 . . . . 0.0 109.703 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' B' ' 43' ' ' THR . 81.2 p -60.02 -40.52 89.62 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.939 -1.101 . . . . 0.0 108.399 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.684 HH22 HD22 ' C' ' 82' ' ' ASN . 71.5 mtt180 -66.46 -40.0 89.15 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.129 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.04 -40.09 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.501 -0.749 . . . . 0.0 109.162 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.462 ' HG1' ' N ' ' B' ' 44' ' ' ALA . 73.9 p -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.97 -1.081 . . . . 0.0 108.407 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.462 ' N ' ' HG1' ' B' ' 43' ' ' THR . . . -60.04 -43.5 95.32 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.204 -0.935 . . . . 0.0 108.792 179.145 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 86.7 mt -60.05 -39.76 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.4 -0.813 . . . . 0.0 109.177 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.04 -39.97 87.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.9 . . . . 0.0 110.072 -178.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -62.51 -42.08 99.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.876 -1.14 . . . . 0.0 109.076 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 55.1 m-85 -65.58 -39.75 91.96 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.274 -0.891 . . . . 0.0 109.704 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 57.8 mt -59.95 -39.56 86.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.053 -1.03 . . . . 0.0 108.763 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.95 -39.98 87.41 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.041 -1.037 . . . . 0.0 108.251 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -60.05 -40.01 87.94 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.332 -0.855 . . . . 0.0 109.123 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.525 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.8 OUTLIER -59.96 -40.05 87.71 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.778 -1.201 . . . . 0.0 109.202 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.23 -35.68 74.08 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.962 -1.086 . . . . 0.0 108.63 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.217 -0.927 . . . . 0.0 108.88 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 63.8 mt -71.6 114.01 9.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.123 -0.985 . . . . 0.0 109.058 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -134.49 -70.79 0.5 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.578 -0.701 . . . . 0.0 109.35 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.93 88.09 1.65 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -105.97 141.78 36.79 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.531 -0.73 . . . . 0.0 110.777 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.538 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 66.69 6.86 38.25 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.69 22.66 0.06 Allowed 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.613 -0.934 . . . . 0.0 109.387 -179.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.538 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.31 109.93 2.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.005 -1.059 . . . . 0.0 109.687 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -102.41 12.14 36.98 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.123 -0.985 . . . . 0.0 110.193 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.507 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 6.2 mmt-85 -122.17 23.76 9.73 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 177.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.507 ' NE2' ' C ' ' B' ' 63' ' ' ARG . 0.0 OUTLIER -149.13 151.88 35.15 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.61 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.1 t -106.78 60.79 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.168 -0.957 . . . . 0.0 109.036 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.79 158.08 43.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.241 -0.912 . . . . 0.0 109.927 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -129.6 134.32 47.65 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 2.8 t -96.47 122.16 39.08 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.24 -0.912 . . . . 0.0 110.979 -178.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.56 120.51 41.83 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.6 t -130.33 81.29 68.63 Favored Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 121.249 -0.907 . . . . 0.0 109.044 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -82.79 68.43 7.57 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.827 2.351 . . . . 0.0 112.373 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.496 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 45.5 t90 -68.24 135.27 91.29 Favored Pre-proline 0 N--CA 1.491 1.611 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.496 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 94.1 Cg_exo -39.68 149.05 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.358 1.372 . . . . 0.0 111.087 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.549 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 2.2 t30 -127.02 -59.56 1.25 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.381 -0.825 . . . . 0.0 109.077 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.13 126.31 36.17 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 30.5 t -80.36 108.75 14.23 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.697 -1.201 . . . . 0.0 108.145 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.1 mt -79.18 137.4 37.43 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 5.2 t -86.74 115.09 61.15 Favored Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.38 -0.825 . . . . 0.0 109.736 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -93.94 -46.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.047 0 C-N-CA 121.821 1.681 . . . . 0.0 113.464 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -121.29 -44.98 2.35 Favored 'General case' 0 N--CA 1.505 2.321 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.692 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 5.5 p90 -59.97 -50.14 74.92 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.329 -1.482 . . . . 0.0 113.402 -175.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.692 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 62.6 t30 -70.26 -39.67 74.84 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.162 -1.586 . . . . 0.0 111.094 -178.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -60.04 -49.7 76.62 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.928 -1.108 . . . . 0.0 110.4 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.26 -41.78 93.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.418 -1.427 . . . . 0.0 109.819 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 71.3 p -71.78 -40.02 69.53 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.194 -0.941 . . . . 0.0 109.913 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -69.97 -40.03 75.62 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.964 -1.085 . . . . 0.0 109.236 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.0 -41.08 91.3 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.909 -1.12 . . . . 0.0 108.508 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.16 -41.61 97.08 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.2 -0.938 . . . . 0.0 108.646 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.445 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.3 t90 -59.98 -50.05 75.29 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.444 -0.785 . . . . 0.0 109.302 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.53 -40.58 97.4 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.349 -0.845 . . . . 0.0 109.288 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -60.09 -44.64 94.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.359 -0.838 . . . . 0.0 110.491 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -60.02 -41.7 92.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.795 -1.19 . . . . 0.0 109.595 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 57.2 t -60.05 -42.04 88.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.11 -0.994 . . . . 0.0 108.925 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -59.96 -45.72 91.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.386 -0.821 . . . . 0.0 110.299 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -64.48 -40.02 94.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.961 -1.087 . . . . 0.0 109.931 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.85 -40.63 83.66 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 118.939 -1.104 . . . . 0.0 108.947 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.97 -48.49 81.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.144 -0.973 . . . . 0.0 109.189 179.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.18 -41.61 97.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.408 -0.807 . . . . 0.0 109.52 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -66.03 -40.0 90.66 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.283 -0.886 . . . . 0.0 109.523 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 84.9 mt -69.09 -40.04 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.451 -0.781 . . . . 0.0 109.191 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 34.4 p -62.37 -41.66 98.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.149 -0.969 . . . . 0.0 109.052 179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.82 76.17 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.186 -0.946 . . . . 0.0 109.323 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 94.4 mt -60.94 -42.91 99.12 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.256 -0.903 . . . . 0.0 109.27 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.95 -48.51 81.41 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.136 -0.978 . . . . 0.0 109.141 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.01 -48.57 81.18 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.075 -1.016 . . . . 0.0 109.303 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.76 -42.38 97.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.323 -0.861 . . . . 0.0 109.257 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.08 94.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.35 -0.844 . . . . 0.0 109.48 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.99 -46.29 89.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.159 -0.963 . . . . 0.0 109.479 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.403 HG22 HD11 ' B' ' 109' ' ' ILE . 96.7 mt -60.07 -49.88 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.238 -0.914 . . . . 0.0 109.455 179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -65.22 -40.09 93.66 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.316 -0.865 . . . . 0.0 109.738 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -60.02 -47.79 84.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.219 -0.925 . . . . 0.0 109.382 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.66 -42.1 99.43 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.119 -0.988 . . . . 0.0 109.387 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -61.11 -41.49 96.77 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.321 -0.862 . . . . 0.0 109.439 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -60.04 -48.78 80.3 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.155 -0.966 . . . . 0.0 108.992 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.1 -40.1 95.49 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.324 -0.86 . . . . 0.0 108.977 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -60.06 -47.95 83.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.386 -0.821 . . . . 0.0 108.914 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.68 -39.94 93.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.238 -0.914 . . . . 0.0 109.14 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.06 -43.08 95.67 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.444 -0.785 . . . . 0.0 109.466 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.546 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.8 mt-30 -60.81 -40.45 92.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.23 -0.919 . . . . 0.0 110.174 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -60.44 -39.77 88.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.003 -1.061 . . . . 0.0 108.963 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.15 -47.5 85.05 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -123.87 61.1 1.09 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.546 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.209 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -78.03 146.05 35.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.275 -0.89 . . . . 0.0 109.484 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' C' ' 3' ' ' SER . 28.8 p -88.46 61.84 6.32 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 109.006 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -63.93 -40.01 95.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.476 -0.765 . . . . 0.0 109.261 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.9 -41.79 96.78 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.161 -0.962 . . . . 0.0 109.005 179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.96 -42.09 98.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.061 -1.024 . . . . 0.0 108.709 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 mt -60.36 -40.02 89.25 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.567 -0.708 . . . . 0.0 109.96 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.94 87.49 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.096 -1.003 . . . . 0.0 108.772 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.67 -46.36 54.58 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.02 -46.19 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.411 -1.052 . . . . 0.0 109.704 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.97 -44.41 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.036 -1.04 . . . . 0.0 108.813 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.05 -39.94 94.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.164 -0.96 . . . . 0.0 109.8 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.06 -41.96 93.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.201 -0.937 . . . . 0.0 109.2 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -60.32 -42.09 94.89 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.052 -1.03 . . . . 0.0 108.756 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.71 -43.54 98.66 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.449 -0.782 . . . . 0.0 109.055 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -60.07 -44.45 94.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.325 -0.859 . . . . 0.0 109.186 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.57 -41.93 98.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.311 -0.868 . . . . 0.0 109.533 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 63.6 tp -60.27 -42.77 96.1 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.322 -0.861 . . . . 0.0 109.207 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.95 -47.64 84.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.258 -0.901 . . . . 0.0 110.057 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.09 -41.1 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.078 -1.014 . . . . 0.0 109.688 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -41.71 86.94 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.442 -0.786 . . . . 0.0 108.972 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -62.12 -41.0 97.8 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.405 -0.81 . . . . 0.0 109.245 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 52.0 mtt-85 -61.89 -39.95 93.73 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.439 -0.788 . . . . 0.0 109.865 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.01 -40.1 88.12 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.007 -1.058 . . . . 0.0 109.455 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -60.02 -49.76 76.41 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.152 -0.967 . . . . 0.0 109.06 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.22 -41.86 97.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.958 . . . . 0.0 109.447 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.91 -41.03 95.34 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.349 -0.844 . . . . 0.0 109.025 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . 0.401 ' O ' ' OG1' ' C' ' 31' ' ' THR . 17.3 mt -60.38 -39.98 89.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.451 -0.781 . . . . 0.0 109.421 179.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.01 -40.45 89.3 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.156 -0.965 . . . . 0.0 109.468 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.456 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 95.9 mt -61.76 -41.66 97.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.145 -0.972 . . . . 0.0 109.542 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' C' ' 28' ' ' LEU . 81.7 p -63.62 -40.36 96.7 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.083 -1.01 . . . . 0.0 109.765 -179.606 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 71.9 t -61.64 -39.95 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.248 -0.908 . . . . 0.0 109.164 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -60.08 -43.42 95.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.324 -0.86 . . . . 0.0 110.469 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.32 -49.98 72.67 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -59.94 -49.97 75.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.088 -1.242 . . . . 0.0 109.916 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.57 -39.99 93.11 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.183 -0.948 . . . . 0.0 109.685 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.644 ' ND2' HH21 ' C' ' 41' ' ' ARG . 52.0 t-20 -60.02 -40.6 89.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.416 -0.803 . . . . 0.0 109.516 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.42 -40.06 89.66 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.132 -0.98 . . . . 0.0 109.563 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -59.96 -40.57 89.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.102 -0.999 . . . . 0.0 109.719 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' C' ' 43' ' ' THR . 81.5 p -60.11 -40.39 89.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.84 -1.162 . . . . 0.0 108.497 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.688 HH22 HD22 ' A' ' 82' ' ' ASN . 71.3 mtt180 -66.52 -40.04 88.94 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.96 -40.06 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.446 -0.784 . . . . 0.0 109.202 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.464 ' HG1' ' N ' ' C' ' 44' ' ' ALA . 72.4 p -60.05 -39.97 87.78 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.86 -1.136 . . . . 0.0 108.5 179.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . 0.464 ' N ' ' HG1' ' C' ' 43' ' ' THR . . . -59.99 -43.44 95.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.206 -0.934 . . . . 0.0 108.924 179.131 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.05 -39.72 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.389 -0.82 . . . . 0.0 109.149 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.03 -39.98 87.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.258 -0.901 . . . . 0.0 110.044 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -62.59 -41.96 99.27 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.77 -1.206 . . . . 0.0 109.048 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 55.3 m-85 -65.76 -39.52 91.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.378 -0.826 . . . . 0.0 109.664 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.99 -39.55 86.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.976 -1.077 . . . . 0.0 108.767 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.95 -40.0 87.5 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -60.01 -39.93 87.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.319 -0.863 . . . . 0.0 109.225 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.523 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.8 OUTLIER -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.755 -1.215 . . . . 0.0 109.058 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.28 -35.87 74.53 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.013 -1.054 . . . . 0.0 108.628 179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.96 -40.06 87.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.395 -0.815 . . . . 0.0 108.862 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 66.1 mt -71.3 113.85 8.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.121 -0.987 . . . . 0.0 109.034 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -134.25 -71.15 0.5 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.549 -0.719 . . . . 0.0 109.396 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.93 88.13 1.66 Allowed 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -105.93 142.17 36.09 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.499 -0.751 . . . . 0.0 110.666 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.525 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 66.52 6.69 36.3 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.108 -1.597 . . . . 0.0 109.108 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -72.57 22.94 0.06 Allowed 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.588 -0.948 . . . . 0.0 109.541 -179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.525 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.74 109.6 2.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.14 -0.975 . . . . 0.0 109.686 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -102.13 12.0 37.44 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.135 -0.978 . . . . 0.0 110.283 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.506 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 6.3 mmt-85 -121.91 23.67 9.94 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 177.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.512 ' N ' HE21 ' C' ' 64' ' ' GLN . 0.0 OUTLIER -148.99 151.85 35.28 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.547 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.2 t -106.62 60.6 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.149 -0.969 . . . . 0.0 109.197 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.86 158.15 43.79 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.233 -0.917 . . . . 0.0 109.873 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -129.54 134.28 47.67 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 2.9 t -96.19 122.41 39.02 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.256 -0.902 . . . . 0.0 111.005 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.85 120.74 42.48 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -130.72 80.99 68.73 Favored Pre-proline 0 N--CA 1.498 1.939 0 O-C-N 121.283 -0.885 . . . . 0.0 108.993 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.61 68.43 7.65 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 122.854 2.369 . . . . 0.0 112.421 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.497 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 45.5 t90 -68.28 135.52 91.22 Favored Pre-proline 0 N--CA 1.491 1.584 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.497 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 95.7 Cg_exo -39.52 148.98 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.175 0 C-N-CA 121.383 1.388 . . . . 0.0 111.104 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 2.1 t30 -127.14 -59.46 1.24 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.371 -0.83 . . . . 0.0 109.053 -179.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.3 126.4 36.37 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 30.0 t -80.6 109.03 14.73 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.798 -1.189 . . . . 0.0 108.196 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 mt -79.54 137.31 37.13 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 5.2 t -86.69 115.15 61.31 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.316 -0.865 . . . . 0.0 109.74 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -93.83 -45.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.047 0 C-N-CA 121.892 1.728 . . . . 0.0 113.488 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -121.37 -44.96 2.35 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -177.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.681 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 5.5 p90 -60.08 -49.99 75.48 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.252 -1.53 . . . . 0.0 113.41 -175.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.684 HD22 HH22 ' B' ' 41' ' ' ARG . 62.9 t30 -70.39 -39.77 74.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.144 -1.597 . . . . 0.0 111.164 -178.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -60.06 -49.51 77.38 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.974 -1.079 . . . . 0.0 110.408 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -65.33 -41.84 93.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.473 -1.392 . . . . 0.0 109.863 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 72.5 p -71.7 -39.89 69.89 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.118 -0.989 . . . . 0.0 109.836 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 36.2 t-105 -70.09 -39.97 75.26 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.942 -1.099 . . . . 0.0 109.17 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.01 -40.98 91.11 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 118.849 -1.141 . . . . 0.0 108.573 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.5 -41.27 97.05 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.147 -0.971 . . . . 0.0 108.555 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.482 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 59.7 t90 -60.03 -49.95 75.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.461 -0.774 . . . . 0.0 109.343 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.67 -40.66 97.39 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.352 -0.842 . . . . 0.0 109.39 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -60.02 -44.54 94.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.425 -0.797 . . . . 0.0 110.496 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.01 -41.72 92.76 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.854 -1.154 . . . . 0.0 109.653 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 61.0 t -60.03 -42.13 88.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.152 -0.968 . . . . 0.0 108.947 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.92 -45.54 92.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.42 -0.8 . . . . 0.0 110.264 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -64.77 -39.89 94.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.008 -1.058 . . . . 0.0 109.895 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.16 -40.51 82.34 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 119.005 -1.078 . . . . 0.0 108.891 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.97 -48.74 80.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.128 -0.982 . . . . 0.0 109.09 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.83 -41.86 96.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.398 -0.814 . . . . 0.0 109.517 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -65.94 -40.07 91.04 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.318 -0.864 . . . . 0.0 109.414 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 85.2 mt -68.97 -40.36 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.331 -0.855 . . . . 0.0 109.24 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 35.4 p -62.06 -41.53 98.24 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.159 -0.963 . . . . 0.0 109.264 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.8 76.25 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.296 -0.878 . . . . 0.0 109.261 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.12 -42.71 99.03 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.192 -0.943 . . . . 0.0 109.269 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.0 -48.63 80.91 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.149 -0.969 . . . . 0.0 109.088 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.04 -48.33 82.17 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.116 -0.99 . . . . 0.0 109.345 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.81 -42.83 98.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.255 -0.903 . . . . 0.0 109.216 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.19 93.75 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.324 -0.86 . . . . 0.0 109.437 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.95 -46.3 89.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.121 -0.987 . . . . 0.0 109.498 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . 0.42 HG22 HD11 ' C' ' 109' ' ' ILE . 96.7 mt -60.01 -49.8 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.33 -0.857 . . . . 0.0 109.351 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -65.39 -40.02 92.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.247 -0.908 . . . . 0.0 109.753 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.98 -47.11 87.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.307 -0.871 . . . . 0.0 109.476 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.74 -41.05 98.09 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.171 -0.956 . . . . 0.0 109.479 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -62.12 -41.18 97.98 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.319 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -59.96 -48.77 80.36 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.148 -0.97 . . . . 0.0 109.112 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.19 -40.22 95.63 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.291 -0.88 . . . . 0.0 108.919 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -59.99 -47.89 83.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.381 -0.825 . . . . 0.0 108.959 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.73 -40.08 93.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.182 -0.948 . . . . 0.0 109.09 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.02 -42.88 95.3 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.453 -0.779 . . . . 0.0 109.359 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.8 mt-30 -60.99 -40.84 95.04 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.272 -0.892 . . . . 0.0 110.049 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -59.97 -39.32 85.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.983 -1.073 . . . . 0.0 109.288 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.78 -47.47 85.56 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -123.77 61.32 1.08 Allowed 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.544 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.245 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.463 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 48.0 mt-30 -69.64 143.91 53.09 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.257 -0.902 . . . . 0.0 109.467 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -89.15 59.97 5.16 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.375 -0.828 . . . . 0.0 108.878 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -62.91 -40.11 96.58 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.331 -0.855 . . . . 0.0 109.023 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 14.5 t -61.49 -44.9 96.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.378 -0.826 . . . . 0.0 109.906 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.458 ' N ' ' CG2' ' A' ' 5' ' ' THR . 57.3 tp -60.34 -42.46 95.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.028 . . . . 0.0 109.231 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.5 mt -60.48 -39.95 89.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.424 -0.797 . . . . 0.0 109.888 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.08 87.74 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.82 -48.23 50.26 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.06 -47.74 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.24 -1.153 . . . . 0.0 109.664 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.93 -41.09 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.061 -1.025 . . . . 0.0 108.949 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -60.12 -40.2 88.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.529 -0.732 . . . . 0.0 109.536 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -59.92 -41.62 92.14 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.303 -0.873 . . . . 0.0 109.49 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.15 -41.03 96.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.953 -1.092 . . . . 0.0 109.11 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.14 -45.72 92.06 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.35 -0.844 . . . . 0.0 108.866 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.82 -43.38 98.3 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.297 -0.877 . . . . 0.0 109.663 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.81 -41.79 98.2 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.213 -0.929 . . . . 0.0 109.475 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.17 -43.61 95.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.163 -0.961 . . . . 0.0 109.244 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -60.29 -47.79 84.49 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.353 -0.842 . . . . 0.0 109.638 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.6 t -60.03 -40.4 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.973 -1.08 . . . . 0.0 109.95 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.05 -43.08 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.196 -0.94 . . . . 0.0 108.532 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -61.36 -40.78 95.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.388 -0.82 . . . . 0.0 109.176 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' NH1' HD21 ' B' ' 99' ' ' ASN . 30.1 mmt180 -60.59 -40.07 90.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.277 -0.89 . . . . 0.0 109.537 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.89 -40.29 92.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.04 -1.038 . . . . 0.0 109.724 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.01 -48.96 79.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.147 -0.971 . . . . 0.0 109.156 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.14 -43.53 95.63 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.309 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.1 -41.37 98.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.359 -0.838 . . . . 0.0 109.26 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.09 -40.36 89.35 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.501 -0.75 . . . . 0.0 109.358 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.4 -41.35 93.69 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.272 -0.892 . . . . 0.0 109.788 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.475 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 78.6 mt -64.36 -40.43 95.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.99 -1.069 . . . . 0.0 109.32 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.1 p -64.23 -40.24 95.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.181 -0.949 . . . . 0.0 109.574 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.06 -40.1 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.358 -0.839 . . . . 0.0 109.54 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -60.15 -41.88 93.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.322 -0.861 . . . . 0.0 109.805 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.17 -44.41 97.42 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -60.09 -49.99 75.47 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.173 -1.192 . . . . 0.0 109.385 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -63.11 -39.89 96.01 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.321 -0.862 . . . . 0.0 109.046 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.576 HD22 ' NH2' ' A' ' 41' ' ' ARG . 59.5 t-20 -60.03 -40.64 90.06 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.39 -0.819 . . . . 0.0 109.773 -178.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.63 -39.93 90.09 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.06 -1.025 . . . . 0.0 108.507 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.2 -40.61 90.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.163 -0.96 . . . . 0.0 109.388 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.4 p -60.73 -41.24 94.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.825 -1.172 . . . . 0.0 108.85 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.576 ' NH2' HD22 ' A' ' 37' ' ' ASN . 29.4 mtt-85 -65.6 -39.97 92.15 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.5 t -60.34 -42.37 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.574 -0.704 . . . . 0.0 109.319 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.418 ' HG1' ' N ' ' A' ' 44' ' ' ALA . 54.5 p -60.12 -40.02 88.28 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.924 -1.11 . . . . 0.0 109.177 -179.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.418 ' N ' ' HG1' ' A' ' 43' ' ' THR . . . -62.31 -40.28 95.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.999 -1.063 . . . . 0.0 108.228 178.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.13 -38.66 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.759 -0.588 . . . . 0.0 109.904 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.99 -41.04 91.18 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.62 -46.07 91.66 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 119.803 -0.759 . . . . 0.0 109.204 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 45.8 m-85 -64.27 -39.98 95.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 110.193 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.18 -41.08 92.15 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.724 -1.235 . . . . 0.0 109.118 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -60.28 -39.92 88.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.783 -1.198 . . . . 0.0 109.177 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.07 -37.91 81.27 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.501 -0.749 . . . . 0.0 109.143 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.515 ' OE1' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.23 -39.76 83.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 0.0 108.336 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.428 ' O ' ' OD1' ' A' ' 56' ' ' ASN . . . -59.66 -35.97 75.49 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.124 -0.985 . . . . 0.0 109.108 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.14 -39.77 83.45 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.395 -0.816 . . . . 0.0 108.838 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.6 mt -79.43 113.5 17.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.833 -1.167 . . . . 0.0 108.674 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' A' ' 53' ' ' ALA . 33.7 m120 -132.98 -68.16 0.6 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.476 -0.765 . . . . 0.0 109.265 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.35 88.36 1.57 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.438 ' C ' ' H ' ' A' ' 60' ' ' ALA . 46.6 m95 -109.0 147.32 32.48 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.55 -0.718 . . . . 0.0 110.236 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.538 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.36 0.52 11.27 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -72.06 25.75 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.524 -0.986 . . . . 0.0 109.554 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.538 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.68 115.08 3.01 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.024 -1.048 . . . . 0.0 109.891 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -112.38 12.6 20.17 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 121.49 -0.756 . . . . 0.0 110.698 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.586 HH21 HH21 ' C' ' 63' ' ' ARG . 6.0 ptp180 -133.4 25.35 4.13 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -142.59 151.63 41.72 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 t -105.2 59.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.094 -1.004 . . . . 0.0 108.752 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.36 157.59 40.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.298 -0.876 . . . . 0.0 110.2 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -129.26 133.22 47.41 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.5 t -96.89 119.22 34.97 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.236 -0.915 . . . . 0.0 110.625 -177.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.8 t -117.14 120.73 39.21 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.42 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 81.9 t -126.07 91.04 48.93 Favored Pre-proline 0 N--CA 1.502 2.133 0 O-C-N 121.311 -0.868 . . . . 0.0 109.53 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -85.8 62.37 5.34 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.759 2.306 . . . . 0.0 112.363 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.524 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 55.7 t90 -69.98 130.31 90.03 Favored Pre-proline 0 N--CA 1.49 1.574 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.524 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 80.2 Cg_exo -40.46 146.67 0.28 Allowed 'Trans proline' 0 N--CA 1.488 1.181 0 C-N-CA 121.055 1.17 . . . . 0.0 111.176 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.515 ' ND2' ' OE1' ' A' ' 52' ' ' GLN . 10.3 t-20 -132.61 10.03 4.33 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.367 -0.833 . . . . 0.0 109.21 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.34 121.61 8.98 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.4 p -82.07 105.0 12.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.83 -1.169 . . . . 0.0 108.595 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.1 mt -82.14 137.22 35.02 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.444 ' OG1' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -88.24 113.57 55.71 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.132 -0.98 . . . . 0.0 109.448 179.216 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -95.02 -48.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.031 0 C-N-CA 121.587 1.525 . . . . 0.0 113.869 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.59 -46.91 2.12 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.208 -0.932 . . . . 0.0 112.926 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.686 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 7.5 p90 -60.06 -56.71 18.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.256 -1.527 . . . . 0.0 112.156 -176.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.686 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.5 OUTLIER -80.09 -36.4 35.54 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.421 -1.424 . . . . 0.0 109.597 -179.208 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -60.06 -49.88 75.91 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.07 -1.018 . . . . 0.0 109.384 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.56 -44.56 96.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.936 -1.103 . . . . 0.0 109.679 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 66.8 p -63.54 -40.08 96.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.021 -1.049 . . . . 0.0 109.682 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.405 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 47.0 t-105 -61.78 -39.86 93.15 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.935 -1.103 . . . . 0.0 109.788 -179.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.23 -42.67 95.72 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.892 -1.13 . . . . 0.0 108.865 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.13 -43.16 95.88 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.508 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 72.0 t90 -60.0 -50.14 74.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.543 -0.723 . . . . 0.0 109.761 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -64.05 -40.4 96.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.095 -1.003 . . . . 0.0 109.641 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -64.81 -40.07 94.61 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.098 -1.001 . . . . 0.0 110.226 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.08 -41.88 93.42 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.783 -1.198 . . . . 0.0 109.156 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.85 -40.47 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.04 -1.037 . . . . 0.0 109.411 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.61 -41.47 94.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.128 -0.982 . . . . 0.0 110.6 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -69.86 -39.99 76.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.905 -1.122 . . . . 0.0 109.8 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.57 -40.42 92.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.217 -0.927 . . . . 0.0 109.668 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.27 -49.15 78.73 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.142 -0.974 . . . . 0.0 108.909 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.34 -43.25 96.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.393 -0.817 . . . . 0.0 109.405 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.481 HD21 ' NH1' ' C' ' 23' ' ' ARG . 98.6 m-20 -63.17 -40.62 98.06 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.298 -0.876 . . . . 0.0 109.888 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 85.5 mt -66.32 -41.88 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.993 -1.067 . . . . 0.0 109.16 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.5 p -60.88 -41.3 95.72 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.095 -1.003 . . . . 0.0 109.263 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.01 -46.29 91.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.172 -0.955 . . . . 0.0 109.574 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.08 -44.49 96.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.382 -0.824 . . . . 0.0 109.751 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.15 -40.24 95.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.177 -0.952 . . . . 0.0 108.979 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.77 -41.9 96.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.205 -0.934 . . . . 0.0 109.628 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.16 -39.95 78.46 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.103 -0.998 . . . . 0.0 109.201 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.429 ' N ' HE22 ' C' ' 16' ' ' GLN . . . -61.58 -43.82 98.16 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.352 -0.842 . . . . 0.0 109.674 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.08 -48.06 83.31 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.138 -0.976 . . . . 0.0 109.194 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.14 -49.75 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.222 -0.924 . . . . 0.0 108.957 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -63.63 -40.89 98.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.588 -0.695 . . . . 0.0 109.802 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -60.12 -49.85 75.99 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.983 -1.073 . . . . 0.0 109.275 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -62.04 -40.62 96.38 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.424 -0.798 . . . . 0.0 109.714 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -64.57 -40.23 95.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.331 -0.856 . . . . 0.0 109.768 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -68.23 -40.46 82.03 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.985 -1.072 . . . . 0.0 109.514 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.88 -39.99 75.95 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.212 -0.93 . . . . 0.0 108.83 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . 0.594 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 64.9 t80 -60.33 -48.65 80.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.614 -0.679 . . . . 0.0 109.357 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.28 -40.0 92.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.133 -0.979 . . . . 0.0 109.587 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.23 -42.86 96.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.195 -0.94 . . . . 0.0 109.857 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.6 mt-30 -61.25 -40.16 93.01 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.11 -0.994 . . . . 0.0 110.036 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.594 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.2 mmtm -60.11 -39.59 86.72 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.227 -0.921 . . . . 0.0 109.277 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 98.8 mt -57.67 -47.34 82.58 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -124.16 60.58 1.13 Allowed 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.8 p . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.993 -1.003 . . . . 0.0 108.942 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.508 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 48.7 mt-30 -69.96 144.18 52.43 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.277 -0.889 . . . . 0.0 109.539 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -89.25 60.6 5.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.134 -0.978 . . . . 0.0 108.656 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.57 -39.97 95.76 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.405 -0.809 . . . . 0.0 109.006 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 15.0 t -61.69 -44.85 96.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.579 -0.701 . . . . 0.0 109.806 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' B' ' 5' ' ' THR . 55.9 tp -60.19 -42.62 95.43 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.053 -1.029 . . . . 0.0 108.927 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 59.7 mt -60.64 -39.89 89.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.326 -0.859 . . . . 0.0 109.875 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.0 87.33 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.915 -1.115 . . . . 0.0 108.113 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.79 -48.37 49.53 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.95 -47.56 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.214 -1.168 . . . . 0.0 109.621 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.14 -41.11 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.182 -0.949 . . . . 0.0 109.107 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -60.05 -40.21 88.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.445 -0.785 . . . . 0.0 109.222 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.05 -41.63 92.74 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.252 -0.905 . . . . 0.0 109.438 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.89 -41.22 95.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.073 -1.017 . . . . 0.0 109.168 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.94 -45.71 91.74 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.312 -0.867 . . . . 0.0 109.036 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.453 HE22 ' N ' ' C' ' 107' ' ' ALA . 28.4 mt-30 -60.77 -43.37 98.12 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.372 -0.83 . . . . 0.0 109.574 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.99 -42.33 99.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.323 -0.861 . . . . 0.0 109.506 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.1 tp -59.94 -43.44 94.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.164 -0.96 . . . . 0.0 109.242 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.27 -47.62 85.23 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.299 -0.876 . . . . 0.0 109.776 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -60.35 -40.21 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.156 -0.965 . . . . 0.0 109.916 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.18 -42.39 90.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.277 -0.889 . . . . 0.0 108.844 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -62.17 -40.27 95.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.547 -0.72 . . . . 0.0 109.221 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.574 ' NH1' HD21 ' C' ' 99' ' ' ASN . 30.2 mmt180 -61.11 -40.05 92.31 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.818 . . . . 0.0 109.397 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.28 -39.98 92.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.084 -1.01 . . . . 0.0 109.511 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.0 -48.78 80.31 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.088 -1.008 . . . . 0.0 109.057 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.61 -43.6 97.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.242 -0.911 . . . . 0.0 109.348 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.78 -41.56 97.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.223 -0.923 . . . . 0.0 109.264 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.12 -40.12 88.61 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.516 -0.74 . . . . 0.0 109.323 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -60.48 -41.14 93.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 109.848 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.506 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 80.5 mt -64.53 -40.48 95.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.106 -0.996 . . . . 0.0 109.369 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 61.3 p -64.29 -40.05 95.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.174 -0.954 . . . . 0.0 109.529 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.3 -40.2 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.264 -0.897 . . . . 0.0 109.472 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -59.95 -42.1 93.3 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.215 -0.928 . . . . 0.0 109.93 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -44.75 96.92 Favored Glycine 0 N--CA 1.486 2.026 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 89.4 m -60.16 -50.01 75.35 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.124 -1.221 . . . . 0.0 109.115 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -62.91 -39.94 96.09 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.263 -0.898 . . . . 0.0 109.19 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.562 HD22 ' NH2' ' B' ' 41' ' ' ARG . 60.3 t-20 -59.99 -40.55 89.58 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.223 -0.923 . . . . 0.0 109.66 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -60.29 -40.05 89.08 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.921 -1.112 . . . . 0.0 108.653 179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.02 -41.0 91.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.202 -0.936 . . . . 0.0 109.36 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 46.5 p -60.28 -41.54 93.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.021 -1.049 . . . . 0.0 108.935 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.562 ' NH2' HD22 ' B' ' 37' ' ' ASN . 28.4 mtt-85 -65.68 -40.05 91.95 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.6 t -60.28 -42.2 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.539 -0.726 . . . . 0.0 109.464 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.428 ' HG1' ' N ' ' B' ' 44' ' ' ALA . 51.1 p -60.0 -40.1 88.04 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.03 -1.044 . . . . 0.0 109.24 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.428 ' N ' ' HG1' ' B' ' 43' ' ' THR . . . -62.9 -40.07 96.44 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.6 mt -63.09 -38.43 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.756 -0.59 . . . . 0.0 109.761 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.04 -41.24 91.85 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.29 -46.27 90.44 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.489 -0.757 . . . . 0.0 109.318 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.448 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 46.3 m-85 -63.86 -40.3 96.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.417 -0.802 . . . . 0.0 110.112 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.0 mt -60.06 -40.4 89.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.779 -1.2 . . . . 0.0 109.147 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.21 -39.84 91.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.748 -1.22 . . . . 0.0 109.012 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.03 -37.88 81.08 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.438 -0.789 . . . . 0.0 109.291 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.5 ' OE1' ' ND2' ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.22 -39.87 84.06 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.122 -0.986 . . . . 0.0 108.417 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.427 ' O ' ' OD1' ' B' ' 56' ' ' ASN . . . -59.42 -35.75 74.58 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.244 -0.91 . . . . 0.0 109.204 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.25 -40.04 84.72 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -79.41 113.57 17.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.914 -1.116 . . . . 0.0 108.677 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' B' ' 53' ' ' ALA . 33.2 m120 -133.01 -68.79 0.58 Allowed 'General case' 0 N--CA 1.5 2.039 0 CA-C-O 121.571 0.7 . . . . 0.0 109.397 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.54 88.04 1.61 Allowed 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.444 ' C ' ' H ' ' B' ' 60' ' ' ALA . 47.8 m95 -108.73 146.81 32.94 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.497 -0.752 . . . . 0.0 110.428 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.538 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.58 0.61 12.78 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.023 -1.631 . . . . 0.0 109.023 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.444 ' H ' ' C ' ' B' ' 58' ' ' TRP . . . -71.89 25.28 0.05 OUTLIER 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.472 -1.017 . . . . 0.0 109.43 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.538 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.46 115.31 3.11 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.825 -1.172 . . . . 0.0 109.946 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -112.78 12.44 19.57 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.607 -0.683 . . . . 0.0 110.604 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.523 HH21 HH21 ' C' ' 63' ' ' ARG . 5.9 ptp180 -132.91 25.3 4.3 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -142.61 151.77 41.83 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.7 t -105.38 59.35 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.004 -1.06 . . . . 0.0 108.582 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.12 157.34 40.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.0 110.207 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -129.22 133.49 47.56 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 4.4 t -97.18 119.58 35.94 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.198 -0.939 . . . . 0.0 110.497 -177.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 6.2 t -117.29 120.63 38.83 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.4 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 93.9 t -125.99 90.73 49.65 Favored Pre-proline 0 N--CA 1.503 2.185 0 O-C-N 121.371 -0.831 . . . . 0.0 109.658 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -85.51 62.43 5.61 Favored 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 122.455 2.104 . . . . 0.0 112.344 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.527 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 54.2 t90 -69.96 129.98 90.38 Favored Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.256 -0.903 . . . . 0.0 108.604 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.527 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 81.4 Cg_exo -40.09 146.71 0.24 Allowed 'Trans proline' 0 N--CA 1.49 1.302 0 C-N-CA 121.114 1.209 . . . . 0.0 111.113 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.5 ' ND2' ' OE1' ' B' ' 52' ' ' GLN . 10.5 t-20 -132.79 9.86 4.25 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.247 -0.908 . . . . 0.0 109.148 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.24 121.39 8.9 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 96.2 p -81.95 105.01 12.72 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.963 -1.086 . . . . 0.0 108.81 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 26.0 mt -82.36 137.18 34.83 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.442 ' OG1' ' CB ' ' B' ' 82' ' ' ASN . 0.0 OUTLIER -88.4 113.26 54.59 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.298 -0.876 . . . . 0.0 109.306 179.472 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -94.97 -47.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 121.664 1.576 . . . . 0.0 113.901 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -123.04 -46.51 2.08 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.285 -0.885 . . . . 0.0 112.932 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.694 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 7.8 p90 -60.4 -56.94 15.37 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.343 -1.473 . . . . 0.0 112.179 -176.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.694 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.5 OUTLIER -79.99 -36.59 35.78 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.461 -1.399 . . . . 0.0 109.618 -179.326 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -59.94 -49.59 77.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.069 -1.019 . . . . 0.0 109.553 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.81 -44.5 96.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.063 -1.023 . . . . 0.0 109.757 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 66.8 p -63.34 -40.05 96.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.032 -1.042 . . . . 0.0 109.822 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . 0.407 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 47.0 t-105 -61.93 -40.02 94.06 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.064 -1.023 . . . . 0.0 109.576 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.13 -43.12 95.93 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.067 -1.053 . . . . 0.0 108.749 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.15 -42.76 95.6 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.475 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 71.8 t90 -60.05 -49.76 76.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.324 -0.86 . . . . 0.0 109.954 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -64.55 -40.4 95.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 109.486 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -64.24 -40.29 95.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.16 -0.963 . . . . 0.0 110.337 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -59.99 -42.11 93.51 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.823 -1.173 . . . . 0.0 109.145 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.59 -40.44 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.097 -1.002 . . . . 0.0 109.498 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.77 -41.21 95.08 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.106 -0.996 . . . . 0.0 110.514 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -69.9 -40.1 75.84 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.946 -1.096 . . . . 0.0 109.78 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.68 -40.33 92.25 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.153 -0.967 . . . . 0.0 109.617 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.17 -49.13 78.85 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.078 -1.014 . . . . 0.0 109.122 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.31 -43.31 96.47 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.355 -0.841 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.437 HD21 ' NH1' ' A' ' 23' ' ' ARG . 98.6 m-20 -63.27 -40.37 97.21 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.299 -0.876 . . . . 0.0 109.984 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 86.6 mt -66.55 -41.5 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.143 -0.973 . . . . 0.0 109.123 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 24.2 p -61.59 -40.48 94.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.085 -1.009 . . . . 0.0 109.168 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.74 92.32 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.242 -0.911 . . . . 0.0 109.545 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.66 -43.46 98.76 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.186 -0.946 . . . . 0.0 109.913 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.24 -40.13 96.56 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.081 -1.012 . . . . 0.0 108.988 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.37 -42.25 95.44 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.254 -0.904 . . . . 0.0 109.522 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -68.88 -39.99 79.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.081 -1.012 . . . . 0.0 109.233 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.97 97.82 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.375 -0.828 . . . . 0.0 109.501 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.16 -48.09 83.19 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.174 -0.954 . . . . 0.0 109.149 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.413 HG22 HD11 ' B' ' 109' ' ' ILE . 96.9 mt -60.19 -49.34 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.113 -0.992 . . . . 0.0 109.254 179.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -64.13 -40.47 96.25 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.372 -0.83 . . . . 0.0 109.956 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.24 -50.0 75.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.018 -1.051 . . . . 0.0 109.413 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.59 -40.97 96.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.336 -0.853 . . . . 0.0 109.607 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -64.56 -40.09 94.94 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.276 -0.89 . . . . 0.0 109.944 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -68.02 -40.59 82.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.022 -1.049 . . . . 0.0 109.606 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -69.72 -40.36 76.3 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.206 -0.934 . . . . 0.0 108.906 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . 0.596 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 64.9 t80 -59.76 -49.28 78.35 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.624 -0.672 . . . . 0.0 109.409 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.72 -40.31 91.85 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.167 -0.958 . . . . 0.0 109.69 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.04 -42.89 95.43 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.285 -0.885 . . . . 0.0 110.062 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.6 mt-30 -61.18 -40.21 93.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.048 -1.032 . . . . 0.0 110.067 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . 0.596 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.2 mmtm -60.03 -39.3 85.42 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.014 -1.054 . . . . 0.0 109.398 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 98.9 mt -58.21 -46.94 84.95 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -124.12 60.48 1.13 Allowed 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.465 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.8 p . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.093 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.553 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 48.5 mt-30 -69.78 144.28 52.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.262 -0.899 . . . . 0.0 109.626 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -89.37 60.61 5.32 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 0.0 108.772 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -63.39 -39.97 95.95 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.323 -0.861 . . . . 0.0 109.006 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.449 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 14.8 t -61.68 -45.01 95.81 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.557 -0.714 . . . . 0.0 109.829 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.449 ' N ' ' CG2' ' C' ' 5' ' ' THR . 55.5 tp -60.46 -41.74 94.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.116 -0.99 . . . . 0.0 109.102 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 59.6 mt -61.17 -39.85 91.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.45 -0.781 . . . . 0.0 109.827 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.02 87.41 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.17 -47.8 50.68 Favored Glycine 0 N--CA 1.486 2.026 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.14 -47.52 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.268 -1.137 . . . . 0.0 109.604 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.12 -41.26 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.265 -0.897 . . . . 0.0 108.974 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -60.11 -40.12 88.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.621 -0.674 . . . . 0.0 109.436 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -60.16 -41.53 93.02 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.354 -0.841 . . . . 0.0 109.419 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -61.24 -40.91 95.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.081 -1.012 . . . . 0.0 109.182 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -60.25 -45.26 93.87 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.38 -0.825 . . . . 0.0 108.857 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . 0.429 HE22 ' N ' ' A' ' 107' ' ' ALA . 28.2 mt-30 -61.53 -42.56 99.0 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.342 -0.849 . . . . 0.0 109.491 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.56 -42.01 99.27 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.143 -0.973 . . . . 0.0 109.463 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.2 -43.27 96.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.129 -0.982 . . . . 0.0 109.097 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.11 -47.91 83.93 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.394 -0.816 . . . . 0.0 109.752 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -60.16 -40.53 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.254 -0.903 . . . . 0.0 109.754 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.27 -42.09 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.029 -1.044 . . . . 0.0 108.767 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -62.18 -40.45 96.08 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.481 ' NH1' HD21 ' A' ' 99' ' ' ASN . 30.2 mmt180 -60.79 -40.34 92.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.59 -40.33 91.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.008 -1.057 . . . . 0.0 109.757 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.04 -48.89 79.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.192 -0.942 . . . . 0.0 108.985 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.41 -43.34 96.81 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.203 -0.936 . . . . 0.0 109.516 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.0 tp -62.54 -40.95 98.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.162 -0.961 . . . . 0.0 109.181 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.16 -40.23 89.19 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.465 -0.772 . . . . 0.0 109.231 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -60.35 -41.83 94.49 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.276 -0.89 . . . . 0.0 109.714 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.508 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 79.7 mt -63.9 -40.57 96.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.139 -0.975 . . . . 0.0 109.215 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 59.2 p -64.05 -40.02 95.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.139 -0.975 . . . . 0.0 109.66 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.41 -40.09 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.444 -0.785 . . . . 0.0 109.643 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -60.09 -41.87 93.42 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.339 -0.85 . . . . 0.0 109.807 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.26 -44.69 97.22 Favored Glycine 0 N--CA 1.487 2.053 0 C-N-CA 119.351 -1.405 . . . . 0.0 109.681 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 85.5 m -60.02 -49.94 75.69 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.153 -1.204 . . . . 0.0 109.269 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -63.07 -39.82 95.84 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.213 -0.93 . . . . 0.0 109.054 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.536 HD22 ' NH2' ' C' ' 41' ' ' ARG . 60.4 t-20 -60.12 -40.57 90.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.279 -0.888 . . . . 0.0 109.641 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.36 -39.9 88.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.07 -1.019 . . . . 0.0 108.701 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.06 -40.76 90.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 109.428 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' C' ' 43' ' ' THR . 44.7 p -60.91 -41.33 95.91 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.897 -1.127 . . . . 0.0 108.857 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.536 ' NH2' HD22 ' C' ' 37' ' ' ASN . 28.9 mtt-85 -65.56 -39.99 92.32 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.54 -42.12 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.53 -0.731 . . . . 0.0 109.487 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' C' ' 40' ' ' THR . 48.2 p -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.876 -1.14 . . . . 0.0 109.059 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . 0.41 ' N ' ' HG1' ' C' ' 43' ' ' THR . . . -62.74 -40.49 97.39 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.75 -39.04 83.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.712 -0.617 . . . . 0.0 109.781 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.91 -41.18 91.12 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.35 -45.91 91.8 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.163 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.45 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 45.8 m-85 -64.27 -40.02 95.11 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.554 -0.716 . . . . 0.0 110.229 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.04 -41.43 92.23 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.655 -1.278 . . . . 0.0 109.166 179.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -60.23 -39.98 88.6 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.751 -1.218 . . . . 0.0 109.206 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.97 -37.74 80.49 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.437 -0.79 . . . . 0.0 109.168 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.519 ' OE1' ' ND2' ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.71 -39.43 84.6 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.035 -1.041 . . . . 0.0 108.504 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . 0.416 ' O ' ' OD1' ' C' ' 56' ' ' ASN . . . -60.02 -35.67 75.58 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.176 -0.952 . . . . 0.0 108.998 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.15 -39.92 83.94 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.357 -0.84 . . . . 0.0 108.957 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 85.8 mt -79.53 113.7 17.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.871 -1.143 . . . . 0.0 108.627 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' C' ' 53' ' ' ALA . 33.7 m120 -133.15 -68.69 0.58 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.465 -0.772 . . . . 0.0 109.217 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.64 88.01 1.6 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . 0.424 ' C ' ' H ' ' C' ' 60' ' ' ALA . 47.1 m95 -108.52 146.99 32.37 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.489 -0.757 . . . . 0.0 110.472 -179.128 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.524 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.86 0.69 14.71 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -72.27 25.51 0.05 Allowed 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.526 -0.985 . . . . 0.0 109.622 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.62 115.64 3.11 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.037 -1.04 . . . . 0.0 109.969 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -112.85 12.54 19.5 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.658 -0.651 . . . . 0.0 110.503 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.586 HH21 HH21 ' A' ' 63' ' ' ARG . 5.8 ptp180 -133.17 24.98 4.21 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -142.04 151.89 42.85 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 t -105.52 59.15 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.133 -0.979 . . . . 0.0 108.726 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.27 157.58 40.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.341 -0.849 . . . . 0.0 110.079 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -129.4 133.26 47.28 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -96.61 119.4 35.02 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.218 -0.926 . . . . 0.0 110.636 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 6.3 t -117.01 120.46 38.45 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.409 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 87.5 t -126.04 90.83 49.41 Favored Pre-proline 0 N--CA 1.503 2.203 0 O-C-N 121.244 -0.91 . . . . 0.0 109.489 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -85.72 62.59 5.45 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.569 2.18 . . . . 0.0 112.177 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.518 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 52.7 t90 -69.98 130.05 90.28 Favored Pre-proline 0 N--CA 1.492 1.662 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.518 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 82.6 Cg_exo -40.55 146.88 0.27 Allowed 'Trans proline' 0 N--CA 1.489 1.213 0 C-N-CA 120.976 1.118 . . . . 0.0 111.213 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.519 ' ND2' ' OE1' ' C' ' 52' ' ' GLN . 10.7 t-20 -132.9 10.07 4.22 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.307 -0.871 . . . . 0.0 109.135 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.38 121.54 8.92 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 94.3 p -82.09 105.19 12.99 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.814 -1.178 . . . . 0.0 108.724 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 25.3 mt -82.51 137.48 34.61 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.446 ' OG1' ' CB ' ' C' ' 82' ' ' ASN . 0.0 OUTLIER -88.43 113.13 54.04 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.315 -0.866 . . . . 0.0 109.522 179.274 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -95.11 -47.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.005 0 C-N-CA 121.618 1.545 . . . . 0.0 113.967 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -122.78 -46.72 2.1 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.309 -0.869 . . . . 0.0 112.911 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.697 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 8.0 p90 -60.35 -56.62 19.21 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.314 -1.491 . . . . 0.0 112.276 -176.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.697 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.5 OUTLIER -80.19 -36.47 34.89 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.406 -1.434 . . . . 0.0 109.507 -179.18 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.01 -49.61 77.0 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.949 -1.095 . . . . 0.0 109.644 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.98 -44.39 97.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.051 -1.031 . . . . 0.0 109.669 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 67.8 p -63.65 -40.05 95.89 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.255 -0.978 . . . . 0.0 109.925 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . 0.404 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 47.4 t-105 -61.86 -40.08 94.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.117 -0.989 . . . . 0.0 109.57 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.16 -42.68 95.43 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.81 -1.181 . . . . 0.0 108.783 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.02 -42.92 95.37 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.506 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 71.7 t90 -60.11 -49.83 76.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.565 -0.709 . . . . 0.0 109.86 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.41 -40.11 95.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.146 -0.971 . . . . 0.0 109.536 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -65.18 -40.03 93.69 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.219 -0.926 . . . . 0.0 110.217 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -59.96 -42.05 93.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.8 -1.188 . . . . 0.0 109.093 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.64 -40.5 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.983 -1.073 . . . . 0.0 109.522 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.41 -41.39 93.83 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.108 -0.995 . . . . 0.0 110.663 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -70.04 -40.05 75.38 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.024 -1.048 . . . . 0.0 109.571 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 98.0 mt -65.57 -40.84 93.24 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.177 -0.952 . . . . 0.0 109.478 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.1 -48.96 79.55 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.087 -1.008 . . . . 0.0 109.194 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.34 -43.11 96.76 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.268 -0.895 . . . . 0.0 109.395 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . 0.574 HD21 ' NH1' ' B' ' 23' ' ' ARG . 98.6 m-20 -63.17 -40.82 98.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.328 -0.858 . . . . 0.0 109.828 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 88.8 mt -65.88 -42.09 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 120.943 -1.098 . . . . 0.0 109.228 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 24.9 p -61.27 -40.8 95.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.042 -1.036 . . . . 0.0 109.293 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.16 -46.47 90.39 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.359 -0.838 . . . . 0.0 109.669 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.41 -44.02 97.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.277 -0.889 . . . . 0.0 109.819 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.55 -40.12 95.79 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.155 -0.966 . . . . 0.0 109.021 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.57 -42.02 95.78 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.362 -0.836 . . . . 0.0 109.663 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.25 -40.04 78.09 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.3 -0.875 . . . . 0.0 109.183 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . 0.453 ' N ' HE22 ' B' ' 16' ' ' GLN . . . -61.72 -43.74 98.27 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.262 -0.899 . . . . 0.0 109.743 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.22 -48.1 83.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.195 -0.941 . . . . 0.0 108.97 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . 0.423 HG22 HD11 ' C' ' 109' ' ' ILE . 97.1 mt -60.15 -50.04 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.255 -0.903 . . . . 0.0 109.069 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.39 -40.84 98.32 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.278 -0.889 . . . . 0.0 109.939 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.08 -49.97 75.54 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.015 -1.053 . . . . 0.0 109.202 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -61.62 -41.04 96.92 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.282 -0.886 . . . . 0.0 109.726 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -64.63 -40.05 94.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.15 -0.969 . . . . 0.0 109.787 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -68.04 -40.63 82.82 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.027 -1.045 . . . . 0.0 109.387 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.48 -40.18 77.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.056 -1.028 . . . . 0.0 108.877 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . 0.6 ' CZ ' ' NZ ' ' C' ' 120' ' ' LYS . 65.5 t80 -59.98 -48.63 80.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.622 -0.674 . . . . 0.0 109.61 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.27 -40.26 93.42 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.136 -0.978 . . . . 0.0 109.512 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.94 -43.44 94.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.851 . . . . 0.0 109.995 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.6 mt-30 -60.89 -40.15 91.98 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.045 -1.034 . . . . 0.0 110.243 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . 0.6 ' NZ ' ' CZ ' ' C' ' 116' ' ' TYR . 39.5 mmtm -60.0 -38.85 83.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.089 -1.007 . . . . 0.0 109.657 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 98.5 mt -58.5 -46.98 85.61 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -124.41 60.65 1.15 Allowed 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.473 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.9 p . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.088 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.288 0.566 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.29 144.38 51.76 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.309 -0.869 . . . . 0.0 109.32 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -90.41 59.6 4.39 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.113 -0.992 . . . . 0.0 109.624 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -63.56 -39.95 95.72 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.415 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 14.9 t -59.99 -42.75 94.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.3 -0.875 . . . . 0.0 109.706 -179.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.415 ' N ' ' CG2' ' A' ' 5' ' ' THR . 64.6 tp -60.02 -41.55 92.43 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.7 -38.49 91.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.695 -0.628 . . . . 0.0 109.468 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.02 87.4 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.12 -0.988 . . . . 0.0 108.677 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.8 -45.22 59.08 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.423 HG22 HD11 ' A' ' 10' ' ' ILE . 93.8 mt -60.0 -48.35 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.308 -1.113 . . . . 0.0 109.876 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.0 -43.89 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.09 -1.006 . . . . 0.0 109.492 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.19 -39.98 96.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.335 -0.853 . . . . 0.0 109.993 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -59.96 -40.7 89.94 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.162 -0.961 . . . . 0.0 109.111 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -61.84 -40.29 94.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.05 -1.031 . . . . 0.0 109.405 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -59.89 -46.11 90.39 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.367 -0.833 . . . . 0.0 109.402 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -59.94 -43.74 94.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.378 -0.826 . . . . 0.0 109.453 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.8 mt -60.88 -42.19 97.44 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.334 -0.853 . . . . 0.0 109.085 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 47.1 tp -60.86 -43.74 97.97 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.331 -0.856 . . . . 0.0 108.818 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.404 ' OD1' ' NE ' ' A' ' 23' ' ' ARG . 7.4 t0 -60.03 -47.43 85.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.194 -0.942 . . . . 0.0 109.825 -179.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.7 -41.87 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.042 -1.036 . . . . 0.0 109.046 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.06 -46.07 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.435 -0.791 . . . . 0.0 109.153 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.92 -41.75 92.43 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.404 ' NE ' ' OD1' ' A' ' 19' ' ' ASP . 53.9 mtt-85 -60.55 -39.97 89.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.297 -0.877 . . . . 0.0 109.58 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.68 -39.99 90.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.154 -0.966 . . . . 0.0 109.401 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -60.06 -46.84 88.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.126 -0.984 . . . . 0.0 109.06 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.57 -40.1 88.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.191 -0.943 . . . . 0.0 109.269 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.3 -40.56 97.68 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.206 -0.934 . . . . 0.0 109.462 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 28.6 mt -60.27 -40.28 89.79 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.328 -0.857 . . . . 0.0 109.694 179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.91 -40.11 91.91 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.126 -0.984 . . . . 0.0 109.329 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.526 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 96.5 mt -61.92 -41.02 97.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.164 -0.96 . . . . 0.0 109.763 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.4 p -66.67 -40.05 88.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.092 -1.005 . . . . 0.0 109.676 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.59 -40.04 83.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.433 -0.792 . . . . 0.0 109.177 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -59.96 -43.91 94.76 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.204 -0.935 . . . . 0.0 109.724 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -47.75 89.49 Favored Glycine 0 N--CA 1.486 2.03 0 C-N-CA 119.273 -1.441 . . . . 0.0 109.829 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.04 -49.98 75.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.992 -1.299 . . . . 0.0 110.074 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.28 -40.02 94.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.111 -0.993 . . . . 0.0 109.752 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.615 HD22 HH21 ' A' ' 41' ' ' ARG . 54.6 t-20 -60.08 -40.58 90.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.291 -0.881 . . . . 0.0 109.784 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.29 -40.0 94.83 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.122 -0.986 . . . . 0.0 109.967 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.05 -41.68 92.86 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.042 -1.036 . . . . 0.0 109.394 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.56 ' HG1' ' N ' ' A' ' 41' ' ' ARG . 69.6 p -60.22 -40.04 88.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.957 -1.089 . . . . 0.0 108.858 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.615 HH21 HD22 ' A' ' 37' ' ' ASN . 34.0 mtt-85 -67.21 -39.98 86.36 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.03 -42.58 90.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.341 -0.849 . . . . 0.0 109.189 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.456 ' HG1' ' N ' ' A' ' 44' ' ' ALA . 69.8 p -60.01 -40.13 88.23 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.089 -1.007 . . . . 0.0 109.866 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.456 ' N ' ' HG1' ' A' ' 43' ' ' THR . . . -60.37 -42.51 95.97 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.098 -1.001 . . . . 0.0 108.486 179.386 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.5 mt -60.85 -39.44 81.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.696 -0.627 . . . . 0.0 109.683 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -60.06 -40.53 89.78 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.174 -0.954 . . . . 0.0 109.038 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -60.13 -46.48 89.5 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.486 -0.759 . . . . 0.0 109.675 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 61.5 m-85 -65.62 -38.18 88.71 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.19 -0.944 . . . . 0.0 109.816 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.92 -40.04 87.51 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.976 -1.078 . . . . 0.0 108.782 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -59.98 -40.02 87.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.85 -1.156 . . . . 0.0 107.98 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -59.9 -40.07 87.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.392 -0.817 . . . . 0.0 108.844 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.644 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.87 -40.06 87.39 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.086 -1.009 . . . . 0.0 109.015 179.802 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.644 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.01 -33.93 72.67 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.074 -1.016 . . . . 0.0 108.769 179.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.438 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 58.3 tt0 -59.13 -40.06 84.29 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.4 mt -77.19 116.83 18.15 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 70' ' ' VAL . 38.2 m-80 -131.67 -70.05 0.59 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.249 -0.907 . . . . 0.0 109.925 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.12 87.67 1.62 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 0.0 108.841 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.432 ' CD1' ' N ' ' A' ' 58' ' ' TRP . 35.4 m95 -101.29 125.68 47.95 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.682 -0.636 . . . . 0.0 109.653 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.507 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 112.72 -5.16 26.06 Favored Glycine 0 N--CA 1.501 2.985 0 O-C-N 121.215 -0.928 . . . . 0.0 112.491 177.637 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.56 25.6 0.25 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.061 -1.846 . . . . 0.0 108.88 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.533 ' O ' ' CE1' ' B' ' 62' ' ' PHE . . . -93.46 101.58 13.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.499 -0.751 . . . . 0.0 109.751 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.534 ' CE1' ' O ' ' C' ' 61' ' ' ALA . 13.3 m-85 -106.85 7.18 30.02 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.912 -1.118 . . . . 0.0 109.235 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -158.87 24.95 0.22 Allowed 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -143.28 151.2 40.27 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.446 -0.784 . . . . 0.0 109.954 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.6 t -110.8 57.6 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 177.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.39 159.85 44.05 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.747 -0.596 . . . . 0.0 109.699 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -120.81 133.79 55.31 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.64 -0.662 . . . . 0.0 109.223 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 8.2 t -94.86 119.8 34.02 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.222 -0.924 . . . . 0.0 110.117 -178.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.4 t -112.37 121.47 44.95 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.533 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 47.0 t -119.43 97.51 50.19 Favored Pre-proline 0 N--CA 1.499 1.983 0 O-C-N 121.441 -0.787 . . . . 0.0 109.45 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -81.35 66.73 8.65 Favored 'Trans proline' 0 N--CA 1.49 1.271 0 C-N-CA 122.157 1.905 . . . . 0.0 112.184 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 19.6 t90 -69.2 129.44 91.95 Favored Pre-proline 0 N--CA 1.49 1.547 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -38.04 148.9 0.08 OUTLIER 'Trans proline' 0 N--CA 1.488 1.204 0 C-N-CA 121.507 1.471 . . . . 0.0 111.543 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.523 HD21 ' NE2' ' A' ' 52' ' ' GLN . 17.2 t-20 -128.28 -59.16 1.18 Allowed 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.06 125.19 34.44 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.8 p -80.24 109.98 15.23 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 118.854 -1.139 . . . . 0.0 108.229 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.3 mt -79.7 137.12 36.96 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.81 0.814 . . . . 0.0 110.075 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.2 t -87.68 114.75 60.39 Favored Pre-proline 0 N--CA 1.491 1.597 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -91.27 -47.42 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.133 0 C-N-CA 121.699 1.599 . . . . 0.0 114.058 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -121.61 -44.34 2.34 Favored 'General case' 0 N--CA 1.504 2.233 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -177.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.3 p90 -59.98 -50.13 74.96 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.321 -1.487 . . . . 0.0 112.418 -175.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.623 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.9 t30 -72.45 -43.44 63.75 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.151 -1.593 . . . . 0.0 110.368 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -60.0 -49.74 76.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.007 -1.058 . . . . 0.0 110.841 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.01 -42.21 94.65 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.697 -1.252 . . . . 0.0 109.746 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.6 p -70.05 -40.0 75.38 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.23 -0.919 . . . . 0.0 109.585 179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.2 t-105 -67.94 -39.91 83.39 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.292 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -60.07 -40.39 89.36 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.664 -1.273 . . . . 0.0 108.238 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.02 -40.08 94.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.986 -1.071 . . . . 0.0 108.524 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.508 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 74.6 t90 -59.91 -49.84 76.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.513 -0.742 . . . . 0.0 110.109 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -64.56 -40.91 96.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.155 -0.966 . . . . 0.0 109.81 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -61.94 -42.18 98.82 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.967 -1.083 . . . . 0.0 110.377 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -60.05 -43.22 95.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.772 -1.205 . . . . 0.0 109.525 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.56 -42.3 91.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.267 -0.896 . . . . 0.0 109.42 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.2 -40.06 88.72 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.3 -0.875 . . . . 0.0 111.118 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -69.07 -40.0 78.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.791 -1.193 . . . . 0.0 109.39 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.49 -39.96 85.21 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.203 -0.936 . . . . 0.0 109.889 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.22 -40.03 86.35 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.789 -1.195 . . . . 0.0 109.851 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -68.15 -39.92 82.54 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.186 -0.946 . . . . 0.0 109.575 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -68.05 -40.04 82.88 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.37 -0.831 . . . . 0.0 109.741 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.16 -40.87 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.139 -0.976 . . . . 0.0 109.667 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.1 p -64.08 -40.54 96.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.038 -1.039 . . . . 0.0 109.361 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -49.15 78.7 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.301 -0.874 . . . . 0.0 109.735 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.09 -41.66 99.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.102 -0.999 . . . . 0.0 109.823 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.38 -41.28 96.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.091 -1.006 . . . . 0.0 109.618 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -64.59 -42.94 95.25 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.104 -0.998 . . . . 0.0 109.193 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.14 -40.46 96.22 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.41 -0.807 . . . . 0.0 109.755 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.24 95.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.32 -0.862 . . . . 0.0 109.687 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -59.92 -49.96 75.64 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.188 -0.945 . . . . 0.0 109.637 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.466 ' CG2' ' HZ1' ' A' ' 113' ' ' LYS . 89.3 mt -60.12 -47.12 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.307 -0.871 . . . . 0.0 109.245 179.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -69.46 -40.1 77.34 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.494 -0.754 . . . . 0.0 110.578 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -59.97 -45.95 91.03 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.952 -1.092 . . . . 0.0 109.679 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.87 -39.99 95.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.104 -0.997 . . . . 0.0 109.506 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . 0.466 ' HZ1' ' CG2' ' A' ' 109' ' ' ILE . 39.7 mttp -65.65 -40.01 92.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.239 -0.913 . . . . 0.0 109.83 179.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -60.06 -41.42 92.32 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.008 -1.057 . . . . 0.0 109.649 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' A' ' 115' ' ' MET . 12.4 tmm? -70.03 -40.56 75.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.972 -1.08 . . . . 0.0 109.137 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -62.02 -44.45 96.68 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.392 -0.817 . . . . 0.0 109.184 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.36 -39.96 89.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.369 -0.832 . . . . 0.0 109.202 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.01 -40.92 90.92 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.38 -39.86 95.67 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.374 -0.829 . . . . 0.0 109.626 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -59.51 -34.4 72.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.93 . . . . 0.0 109.58 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 87.6 mt -57.44 -48.87 78.02 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.077 -1.049 . . . . 0.0 108.5 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -143.71 65.83 1.3 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.145 -0.972 . . . . 0.0 109.88 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.037 179.357 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.43 144.52 51.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.335 -0.853 . . . . 0.0 109.309 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -90.46 59.57 4.36 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.235 -0.916 . . . . 0.0 109.649 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -63.7 -39.94 95.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.157 -0.964 . . . . 0.0 108.704 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.413 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 14.9 t -60.0 -42.81 95.06 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.36 -0.838 . . . . 0.0 109.777 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.413 ' N ' ' CG2' ' B' ' 5' ' ' THR . 64.0 tp -60.02 -41.47 92.25 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.77 -38.45 91.02 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.96 87.85 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.155 -0.965 . . . . 0.0 108.594 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.78 -45.23 59.13 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.419 HG22 HD11 ' B' ' 10' ' ' ILE . 93.3 mt -59.97 -48.38 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.32 -1.106 . . . . 0.0 109.788 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.95 -44.11 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.03 -1.044 . . . . 0.0 109.355 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -62.97 -39.98 96.32 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.299 -0.876 . . . . 0.0 110.028 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -60.02 -40.67 90.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.128 -0.983 . . . . 0.0 109.146 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -61.89 -40.31 94.96 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.134 -0.979 . . . . 0.0 109.373 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -59.96 -45.94 91.02 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.266 -0.896 . . . . 0.0 109.444 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.02 -43.77 95.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.42 -0.8 . . . . 0.0 109.516 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.71 -42.62 97.61 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.187 -0.946 . . . . 0.0 109.018 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 46.1 tp -60.49 -43.64 96.81 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.417 -0.802 . . . . 0.0 108.952 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -60.02 -47.42 85.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.264 -0.898 . . . . 0.0 109.873 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.01 -41.76 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.999 -1.063 . . . . 0.0 109.021 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -46.01 94.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.428 -0.795 . . . . 0.0 109.091 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.06 -41.76 93.03 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.402 HH11 ' HG2' ' B' ' 23' ' ' ARG . 53.7 mtt-85 -60.49 -39.98 89.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -0.85 . . . . 0.0 109.545 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.67 -40.0 90.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.185 -0.947 . . . . 0.0 109.444 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -59.95 -46.63 88.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.108 -0.995 . . . . 0.0 109.233 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.81 -39.99 87.92 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.142 -0.974 . . . . 0.0 109.342 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.43 -40.19 96.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.311 -0.868 . . . . 0.0 109.474 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 mt -60.56 -40.5 91.83 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.402 -0.811 . . . . 0.0 109.616 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.74 -40.18 91.43 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.094 -1.004 . . . . 0.0 109.354 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.515 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 97.2 mt -61.88 -40.99 97.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.227 -0.921 . . . . 0.0 109.712 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.8 p -66.84 -40.06 87.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.148 -0.97 . . . . 0.0 109.679 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -60.5 -40.1 83.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.309 -0.869 . . . . 0.0 109.076 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -59.98 -43.95 94.8 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.243 -0.91 . . . . 0.0 109.724 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -47.51 90.68 Favored Glycine 0 N--CA 1.488 2.137 0 C-N-CA 119.364 -1.398 . . . . 0.0 109.832 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.17 -50.02 75.32 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.021 -1.282 . . . . 0.0 110.158 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.27 -39.98 94.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.015 -1.053 . . . . 0.0 109.689 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.599 HD22 HH21 ' B' ' 41' ' ' ARG . 54.5 t-20 -60.07 -40.87 91.0 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.272 -0.892 . . . . 0.0 109.685 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 85.7 mt -62.17 -39.86 94.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.087 -1.008 . . . . 0.0 110.0 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.04 -41.59 92.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.057 -1.027 . . . . 0.0 109.46 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.561 ' HG1' ' N ' ' B' ' 41' ' ' ARG . 69.3 p -60.2 -40.16 89.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.977 -1.077 . . . . 0.0 108.859 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.599 HH21 HD22 ' B' ' 37' ' ' ASN . 34.4 mtt-85 -67.1 -40.1 86.84 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -42.67 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.3 -0.875 . . . . 0.0 109.131 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.445 ' HG1' ' N ' ' B' ' 44' ' ' ALA . 70.6 p -60.05 -40.29 88.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.068 -1.02 . . . . 0.0 109.763 -179.591 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . 0.445 ' N ' ' HG1' ' B' ' 43' ' ' THR . . . -60.27 -42.29 95.07 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.114 -0.991 . . . . 0.0 108.575 179.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.05 -39.39 82.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.774 -0.579 . . . . 0.0 109.67 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.98 -40.71 90.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.138 -0.976 . . . . 0.0 108.988 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.06 -46.9 88.02 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.414 -0.803 . . . . 0.0 109.602 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.505 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 61.4 m-85 -65.12 -38.33 90.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.261 -0.9 . . . . 0.0 109.887 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 49.1 mt -59.96 -40.02 87.6 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.846 -1.159 . . . . 0.0 108.842 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -60.06 -39.93 87.72 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.654 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -59.96 -40.02 87.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.153 -0.967 . . . . 0.0 108.941 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.654 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -60.04 -33.93 72.69 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.99 -1.069 . . . . 0.0 108.823 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.435 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 58.4 tt0 -59.14 -40.04 84.25 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 78.0 mt -77.18 116.83 18.14 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' B' ' 70' ' ' VAL . 37.2 m-80 -131.71 -69.99 0.59 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.236 -0.915 . . . . 0.0 109.888 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.22 87.89 1.62 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.259 -0.9 . . . . 0.0 108.953 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.429 ' CD1' ' N ' ' B' ' 58' ' ' TRP . 35.5 m95 -101.67 125.75 48.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.776 -0.578 . . . . 0.0 109.608 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 112.63 -5.04 26.2 Favored Glycine 0 N--CA 1.501 2.981 0 O-C-N 121.307 -0.871 . . . . 0.0 112.454 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.36 25.32 0.24 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.049 -1.853 . . . . 0.0 108.989 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.545 ' O ' ' CE1' ' C' ' 62' ' ' PHE . . . -93.26 101.76 14.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.506 -0.746 . . . . 0.0 109.819 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 13.3 m-85 -107.06 7.28 29.65 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.889 -1.132 . . . . 0.0 109.238 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -158.89 24.84 0.21 Allowed 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -143.11 151.53 40.83 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.413 -0.805 . . . . 0.0 109.927 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.6 t -110.98 57.73 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 177.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.48 160.02 43.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.725 -0.609 . . . . 0.0 109.579 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -121.02 133.79 55.27 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 8.1 t -94.81 119.75 33.91 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.201 -0.937 . . . . 0.0 110.015 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 9.6 t -112.33 121.67 45.54 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.543 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 47.1 t -119.44 97.65 50.17 Favored Pre-proline 0 N--CA 1.501 2.083 0 O-C-N 121.466 -0.771 . . . . 0.0 109.493 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -81.58 66.84 8.53 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 122.126 1.884 . . . . 0.0 112.054 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.422 ' O ' ' C ' ' B' ' 73' ' ' PRO . 19.7 t90 -69.3 129.49 91.78 Favored Pre-proline 0 N--CA 1.49 1.571 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' B' ' 72' ' ' TRP . 68.1 Cg_exo -38.11 149.01 0.08 OUTLIER 'Trans proline' 0 N--CA 1.487 1.138 0 C-N-CA 121.469 1.446 . . . . 0.0 111.562 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 17.3 t-20 -128.36 -59.4 1.16 Allowed 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.7 125.47 34.42 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 17.8 p -80.4 110.02 15.46 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.848 -1.157 . . . . 0.0 108.056 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.6 mt -79.72 137.21 36.97 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-O 121.797 0.808 . . . . 0.0 109.937 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 5.2 t -87.51 115.02 61.48 Favored Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -91.25 -47.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.111 0 C-N-CA 121.755 1.637 . . . . 0.0 114.08 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -121.62 -44.18 2.35 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.2 p90 -59.94 -50.05 75.28 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.21 -1.556 . . . . 0.0 112.503 -175.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.623 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.7 t30 -72.49 -43.53 63.51 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.156 -1.59 . . . . 0.0 110.349 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -59.92 -49.79 76.32 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.08 -1.012 . . . . 0.0 110.836 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.01 -42.01 94.85 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.729 -1.232 . . . . 0.0 109.781 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 73.7 p -70.2 -40.03 74.82 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.29 -0.881 . . . . 0.0 109.556 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -67.83 -39.98 83.8 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 119.065 -1.054 . . . . 0.0 109.314 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -59.95 -40.39 88.82 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.617 -1.302 . . . . 0.0 108.343 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -65.18 -40.09 93.78 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.982 -1.074 . . . . 0.0 108.439 178.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.526 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 74.4 t90 -59.9 -50.06 75.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.512 -0.743 . . . . 0.0 110.043 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.35 -40.73 96.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.026 -1.046 . . . . 0.0 109.863 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 54.2 mtt-85 -62.04 -42.06 98.77 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.963 -1.086 . . . . 0.0 110.352 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -60.08 -42.88 95.56 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.854 -1.154 . . . . 0.0 109.542 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.14 -41.85 90.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.344 -0.848 . . . . 0.0 109.361 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.5 -40.16 90.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.301 -0.874 . . . . 0.0 110.987 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -68.93 -39.95 79.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.726 -1.234 . . . . 0.0 109.417 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.54 -39.96 84.99 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.149 -0.97 . . . . 0.0 109.99 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -67.23 -39.99 86.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.891 -1.131 . . . . 0.0 109.774 -179.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.2 -39.94 82.29 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.226 -0.921 . . . . 0.0 109.554 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -68.21 -39.91 82.25 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.335 -0.853 . . . . 0.0 109.792 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 85.6 mt -66.16 -40.93 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.063 -1.023 . . . . 0.0 109.635 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 40.7 p -63.85 -40.78 97.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.914 -1.116 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.35 -49.17 78.65 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.354 -0.841 . . . . 0.0 109.829 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.26 -41.51 99.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.127 -0.983 . . . . 0.0 109.814 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.4 mt -61.48 -41.03 96.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.037 -1.039 . . . . 0.0 109.571 179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -64.93 -42.48 94.65 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.146 -0.971 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.61 -40.36 95.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.404 -0.81 . . . . 0.0 109.742 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.4 96.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.309 -0.87 . . . . 0.0 109.59 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 -59.94 -49.95 75.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.147 -0.971 . . . . 0.0 109.654 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.454 ' CG2' ' HZ1' ' B' ' 113' ' ' LYS . 88.2 mt -60.05 -47.21 92.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 O-C-N 121.323 -0.861 . . . . 0.0 109.248 179.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -69.42 -39.98 77.54 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.558 -0.714 . . . . 0.0 110.597 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -59.98 -46.02 90.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.922 -1.111 . . . . 0.0 109.645 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.83 -40.1 95.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 109.453 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . 0.454 ' HZ1' ' CG2' ' B' ' 109' ' ' ILE . 39.9 mttp -65.66 -40.02 92.0 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.105 -0.997 . . . . 0.0 109.776 179.404 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -60.01 -41.35 91.94 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.041 -1.037 . . . . 0.0 109.7 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 115' ' ' MET . . . . . 0.431 ' C ' ' SD ' ' B' ' 115' ' ' MET . 12.4 tmm? -70.12 -40.79 74.64 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.989 -1.069 . . . . 0.0 109.047 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -61.77 -44.49 96.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.308 -0.87 . . . . 0.0 109.293 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.27 -39.93 88.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.348 -0.845 . . . . 0.0 109.152 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 13.5 tp -60.05 -40.89 90.97 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.7 mt-30 -63.41 -39.86 95.63 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.459 -0.776 . . . . 0.0 109.642 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -59.46 -34.32 72.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 0.0 109.589 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.51 -48.95 77.87 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.925 -1.109 . . . . 0.0 108.438 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -143.64 65.79 1.31 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.189 -0.944 . . . . 0.0 109.912 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.403 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.7 t . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.12 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.413 ' H1 ' ' H ' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.413 ' H ' ' H1 ' ' C' ' 1' ' ' ALA . 98.4 mm-40 -70.43 144.43 51.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.269 -0.894 . . . . 0.0 109.282 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -90.33 59.42 4.37 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.258 -0.901 . . . . 0.0 109.646 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -63.54 -39.89 95.58 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.236 -0.915 . . . . 0.0 108.736 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.409 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 14.9 t -60.09 -42.77 95.37 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.337 -0.852 . . . . 0.0 109.824 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.409 ' N ' ' CG2' ' C' ' 5' ' ' THR . 64.3 tp -59.99 -41.78 92.77 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.44 -38.58 91.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.767 -0.583 . . . . 0.0 109.495 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.081 -1.012 . . . . 0.0 108.6 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.71 -45.28 59.34 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.412 HD11 HG22 ' C' ' 10' ' ' ILE . 93.3 mt -60.05 -48.41 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -1.112 . . . . 0.0 109.86 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.99 -43.72 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.001 -1.062 . . . . 0.0 109.428 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.23 -40.05 96.36 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.242 -0.911 . . . . 0.0 109.839 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -59.98 -40.73 90.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 0.0 109.103 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -61.83 -40.29 94.76 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.005 -1.059 . . . . 0.0 109.384 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -60.0 -45.93 91.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.234 -0.916 . . . . 0.0 109.392 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -60.03 -43.36 95.37 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.253 -0.905 . . . . 0.0 109.644 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.05 -42.3 98.22 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.304 -0.872 . . . . 0.0 109.101 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 46.3 tp -60.81 -43.54 98.07 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.355 -0.841 . . . . 0.0 108.953 179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -59.98 -47.77 84.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.235 -0.915 . . . . 0.0 109.718 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.46 -41.96 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.032 -1.042 . . . . 0.0 109.123 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.97 -46.02 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.44 -0.787 . . . . 0.0 109.059 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.05 -41.65 92.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.462 -0.774 . . . . 0.0 109.104 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.409 ' HG2' HH11 ' C' ' 23' ' ' ARG . 53.6 mtt-85 -60.43 -40.05 89.65 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.285 -0.884 . . . . 0.0 109.512 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.82 -39.9 90.71 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.112 -0.993 . . . . 0.0 109.441 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -60.15 -46.74 88.63 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.17 -0.956 . . . . 0.0 109.101 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.59 -40.07 88.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.206 -0.934 . . . . 0.0 109.416 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 29.8 tp -63.45 -40.17 96.43 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.356 -0.84 . . . . 0.0 109.455 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.39 -40.57 91.37 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.412 -0.805 . . . . 0.0 109.586 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.84 -39.98 91.11 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.122 -0.986 . . . . 0.0 109.398 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.508 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 97.3 mt -62.02 -40.76 96.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.752 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.0 p -67.0 -40.01 87.25 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.103 -0.998 . . . . 0.0 109.643 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 56.7 t -60.54 -40.03 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.334 -0.854 . . . . 0.0 109.181 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -59.97 -43.91 94.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.265 -0.897 . . . . 0.0 109.753 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.68 89.86 Favored Glycine 0 N--CA 1.487 2.052 0 C-N-CA 119.343 -1.408 . . . . 0.0 109.818 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -50.01 75.43 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.995 -1.297 . . . . 0.0 110.08 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.32 -39.97 94.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.073 -1.017 . . . . 0.0 109.779 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.616 HD22 HH21 ' C' ' 41' ' ' ARG . 53.6 t-20 -60.01 -40.84 90.67 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.296 -0.877 . . . . 0.0 109.69 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.09 -40.02 94.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.049 -1.032 . . . . 0.0 109.955 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -59.99 -41.79 92.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.057 -1.027 . . . . 0.0 109.48 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.56 ' HG1' ' N ' ' C' ' 41' ' ' ARG . 71.8 p -60.1 -40.03 88.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.01 -1.056 . . . . 0.0 108.837 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.616 HH21 HD22 ' C' ' 37' ' ' ASN . 34.3 mtt-85 -67.17 -39.99 86.53 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.03 -42.74 90.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.28 -0.887 . . . . 0.0 109.078 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.45 ' HG1' ' N ' ' C' ' 44' ' ' ALA . 70.7 p -60.02 -40.09 88.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.075 -1.016 . . . . 0.0 109.826 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . 0.45 ' N ' ' HG1' ' C' ' 43' ' ' THR . . . -60.33 -42.35 95.44 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.137 -0.977 . . . . 0.0 108.511 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 95.6 mt -61.09 -39.24 81.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.711 -0.618 . . . . 0.0 109.759 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -60.06 -40.51 89.73 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.222 -0.924 . . . . 0.0 108.983 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.31 -46.66 89.08 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.427 -0.796 . . . . 0.0 109.639 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 61.0 m-85 -65.25 -38.37 90.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.257 -0.902 . . . . 0.0 109.701 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 48.0 mt -60.0 -40.05 87.86 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.936 -1.103 . . . . 0.0 108.809 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -59.99 -39.92 87.39 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.646 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.94 -40.03 87.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.194 -0.941 . . . . 0.0 109.065 179.768 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . 0.646 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -59.94 -33.93 72.57 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.066 -1.021 . . . . 0.0 108.79 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . 0.435 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 58.3 tt0 -59.21 -39.99 84.39 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 81.3 mt -77.19 116.75 18.09 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.54 ' ND2' ' O ' ' C' ' 70' ' ' VAL . 38.6 m-80 -131.62 -69.93 0.6 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.138 -0.976 . . . . 0.0 109.917 -179.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.22 87.84 1.62 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.377 -0.827 . . . . 0.0 108.795 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . 0.427 ' CD1' ' N ' ' C' ' 58' ' ' TRP . 35.3 m95 -101.6 125.46 48.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.778 -0.576 . . . . 0.0 109.703 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 112.64 -4.51 26.19 Favored Glycine 0 N--CA 1.5 2.901 0 O-C-N 121.287 -0.883 . . . . 0.0 112.436 177.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.73 25.49 0.26 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.051 -1.852 . . . . 0.0 108.866 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.534 ' O ' ' CE1' ' A' ' 62' ' ' PHE . . . -93.5 101.92 14.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.477 -0.764 . . . . 0.0 109.827 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . 0.545 ' CE1' ' O ' ' B' ' 61' ' ' ALA . 13.2 m-85 -107.12 7.33 29.56 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.954 -1.092 . . . . 0.0 109.329 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -158.93 24.82 0.21 Allowed 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -143.26 151.44 40.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.517 -0.739 . . . . 0.0 109.849 -178.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 t -110.94 57.7 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 177.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.51 159.95 43.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.755 -0.591 . . . . 0.0 109.611 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -120.88 134.01 55.3 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 8.2 t -94.98 119.87 34.23 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.213 -0.93 . . . . 0.0 110.048 -178.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 9.2 t -112.47 121.61 45.33 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.54 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 46.5 t -119.56 97.43 50.01 Favored Pre-proline 0 N--CA 1.499 1.991 0 O-C-N 121.493 -0.754 . . . . 0.0 109.5 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -81.38 66.86 8.62 Favored 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.227 1.951 . . . . 0.0 112.049 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.425 ' O ' ' C ' ' C' ' 73' ' ' PRO . 20.3 t90 -69.54 129.45 91.47 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' C' ' 72' ' ' TRP . 66.9 Cg_exo -38.03 148.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 121.494 1.463 . . . . 0.0 111.59 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.509 HD21 ' NE2' ' C' ' 52' ' ' GLN . 17.1 t-20 -128.23 -58.91 1.19 Allowed 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.2 125.39 34.6 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 16.8 p -80.44 109.97 15.44 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.841 -1.162 . . . . 0.0 108.153 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 35.2 mt -79.67 137.04 36.95 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.844 0.83 . . . . 0.0 110.044 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 5.2 t -87.49 114.77 60.32 Favored Pre-proline 0 C--N 1.298 -1.642 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -91.25 -47.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 121.722 1.615 . . . . 0.0 114.094 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -121.78 -44.36 2.32 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.308 -0.87 . . . . 0.0 113.332 -176.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.614 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.2 p90 -60.02 -49.93 75.74 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.246 -1.534 . . . . 0.0 112.473 -175.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.614 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.9 t30 -72.55 -43.41 63.51 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.224 -1.548 . . . . 0.0 110.358 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -60.0 -49.67 76.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.068 -1.02 . . . . 0.0 110.884 -178.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.04 -42.1 94.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.726 -1.234 . . . . 0.0 109.816 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 75.8 p -70.05 -39.99 75.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.319 -0.863 . . . . 0.0 109.621 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -68.05 -39.94 82.92 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.255 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -59.99 -40.45 89.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.757 -1.214 . . . . 0.0 108.253 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.03 -40.04 94.25 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.953 -1.092 . . . . 0.0 108.458 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.515 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 74.6 t90 -60.02 -49.96 75.62 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.541 -0.724 . . . . 0.0 110.034 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.42 -40.82 96.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.084 -1.01 . . . . 0.0 109.896 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -62.02 -41.99 98.69 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.016 -1.053 . . . . 0.0 110.396 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -60.09 -43.14 95.74 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.864 -1.147 . . . . 0.0 109.485 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.8 -42.12 91.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.446 -0.784 . . . . 0.0 109.426 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.34 -40.07 89.35 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.311 -0.868 . . . . 0.0 110.971 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -69.02 -39.98 78.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.738 -1.226 . . . . 0.0 109.449 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.47 -40.12 85.29 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.193 -0.942 . . . . 0.0 110.019 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.04 -39.91 87.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.818 -1.176 . . . . 0.0 109.864 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.31 -40.08 81.82 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.211 -0.931 . . . . 0.0 109.534 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -67.87 -40.02 83.66 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.343 -0.848 . . . . 0.0 109.742 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.16 -41.23 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.09 -1.006 . . . . 0.0 109.567 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.9 p -63.74 -40.64 97.22 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.919 -1.113 . . . . 0.0 109.369 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.61 -49.13 78.75 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.318 -0.864 . . . . 0.0 109.794 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.12 -41.74 99.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.179 -0.95 . . . . 0.0 109.733 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 84.5 mt -61.3 -41.41 96.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.001 -1.062 . . . . 0.0 109.592 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -64.25 -43.16 95.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.063 -1.023 . . . . 0.0 109.286 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.8 -40.94 97.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.409 -0.807 . . . . 0.0 109.797 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.28 95.0 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.291 -0.881 . . . . 0.0 109.765 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -60.0 -49.88 75.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.079 -1.013 . . . . 0.0 109.603 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . 0.462 ' CG2' ' HZ1' ' C' ' 113' ' ' LYS . 89.3 mt -60.2 -47.02 93.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.256 -0.902 . . . . 0.0 109.253 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -69.54 -40.03 77.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.475 -0.765 . . . . 0.0 110.599 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -60.01 -45.86 91.38 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.977 -1.077 . . . . 0.0 109.664 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.99 -40.03 95.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.136 -0.978 . . . . 0.0 109.479 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . 0.462 ' HZ1' ' CG2' ' C' ' 109' ' ' ILE . 39.6 mttp -65.75 -39.95 91.6 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.129 -0.982 . . . . 0.0 109.801 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -60.04 -41.29 91.96 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.937 -1.102 . . . . 0.0 109.736 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 115' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' C' ' 115' ' ' MET . 12.4 tmm? -70.04 -40.93 74.84 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.937 -1.102 . . . . 0.0 109.166 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -61.7 -44.49 96.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.388 -0.82 . . . . 0.0 109.182 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.24 -40.07 88.96 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.355 -0.841 . . . . 0.0 109.143 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 13.5 tp -59.99 -40.89 90.7 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.8 mt-30 -63.31 -39.84 95.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.509 -0.744 . . . . 0.0 109.669 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -60.09 -33.31 71.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.218 -0.926 . . . . 0.0 109.7 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 88.3 mt -58.1 -48.88 78.84 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.887 -1.133 . . . . 0.0 108.451 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -143.65 65.78 1.31 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.172 -0.955 . . . . 0.0 109.879 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.405 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.7 t . . . . . 0 N--CA 1.495 1.777 0 O-C-N 121.15 -0.969 . . . . 0.0 109.124 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 121.506 0.67 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.505 ' N ' ' OE1' ' A' ' 2' ' ' GLN . 1.0 OUTLIER -78.5 144.99 35.2 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.365 -0.834 . . . . 0.0 109.293 179.872 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 p -89.09 60.0 5.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.168 -0.957 . . . . 0.0 108.812 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.03 -39.94 94.02 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.458 -0.776 . . . . 0.0 108.985 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.43 -42.47 96.11 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.213 -0.929 . . . . 0.0 109.12 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.25 -43.02 99.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.131 -0.981 . . . . 0.0 108.745 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.0 mt -60.25 -39.87 88.29 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.642 -0.662 . . . . 0.0 110.196 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.05 85.75 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.014 -1.054 . . . . 0.0 108.556 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.36 -45.94 44.59 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.414 HG22 HD11 ' A' ' 10' ' ' ILE . 96.7 mt -60.04 -47.59 91.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.082 -1.246 . . . . 0.0 109.903 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.06 -41.66 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.124 -0.985 . . . . 0.0 108.47 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.94 -40.05 91.8 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -60.22 -45.34 93.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.476 -0.765 . . . . 0.0 109.739 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -60.33 -41.38 93.46 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.405 -0.81 . . . . 0.0 109.303 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.02 -46.85 88.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.223 -0.923 . . . . 0.0 109.476 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.32 -41.22 96.66 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.251 -0.906 . . . . 0.0 109.879 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.77 -41.48 97.76 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.09 -1.007 . . . . 0.0 108.638 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.37 -43.15 96.83 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.31 -49.99 75.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.481 -0.762 . . . . 0.0 109.803 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.31 -41.78 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 121.1 -1.0 . . . . 0.0 109.416 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.96 -43.85 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.168 -0.957 . . . . 0.0 109.129 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -60.71 -41.25 94.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.496 -0.753 . . . . 0.0 109.008 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 55.8 mtt-85 -61.32 -40.07 92.87 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.401 -0.812 . . . . 0.0 109.83 -179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.67 -39.92 90.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.949 -1.094 . . . . 0.0 109.412 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -60.2 -42.37 94.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.164 -0.96 . . . . 0.0 109.016 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -68.27 -40.44 81.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.269 -0.894 . . . . 0.0 109.068 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.9 tp -63.59 -40.56 97.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.527 -0.733 . . . . 0.0 109.53 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 23.8 mt -60.13 -40.4 89.64 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.302 -0.873 . . . . 0.0 109.628 179.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.23 -40.68 94.92 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.144 -0.972 . . . . 0.0 109.667 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.53 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 88.1 mt -62.78 -39.97 95.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 0.0 109.276 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.7 p -66.19 -40.2 90.26 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.052 -1.03 . . . . 0.0 109.55 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.49 -40.0 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.19 -0.944 . . . . 0.0 109.014 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -60.24 -44.19 95.44 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.471 -0.768 . . . . 0.0 110.24 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -47.37 91.32 Favored Glycine 0 N--CA 1.49 2.254 0 C-N-CA 119.558 -1.306 . . . . 0.0 109.908 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.26 -50.04 75.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.051 -1.264 . . . . 0.0 109.941 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -60.31 -39.95 88.84 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.153 -0.967 . . . . 0.0 109.696 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.412 ' O ' ' OG1' ' A' ' 40' ' ' THR . 54.4 t-20 -59.98 -40.08 87.88 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.238 -0.914 . . . . 0.0 109.093 -179.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.94 -40.24 88.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.067 -1.021 . . . . 0.0 109.425 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -59.89 -40.25 88.12 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.315 -0.866 . . . . 0.0 109.681 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 37' ' ' ASN . 60.0 p -60.03 -42.79 95.13 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.072 -1.017 . . . . 0.0 108.622 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.6 HH21 ' CG ' ' B' ' 82' ' ' ASN . 60.3 mtt-85 -64.31 -39.92 94.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 0.0 109.188 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -45.29 95.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 C-N-CA 119.379 -0.928 . . . . 0.0 108.855 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.5 p -60.19 -42.2 94.54 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.898 -1.126 . . . . 0.0 109.905 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.5 95.97 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.213 -0.929 . . . . 0.0 108.913 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.9 mt -60.04 -39.08 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.697 -0.627 . . . . 0.0 109.456 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.8 -40.57 88.77 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.113 -0.992 . . . . 0.0 109.413 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.79 -41.13 99.12 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.844 -1.16 . . . . 0.0 108.926 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 51.4 m-85 -67.17 -39.56 86.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.523 -0.735 . . . . 0.0 109.77 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.04 -39.98 87.81 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.794 -1.191 . . . . 0.0 108.726 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.84 -39.7 86.01 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.973 -1.079 . . . . 0.0 109.081 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.73 -39.77 85.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.232 -0.918 . . . . 0.0 108.876 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.495 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.9 OUTLIER -59.83 -40.0 87.02 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.005 -1.059 . . . . 0.0 109.328 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.42 85.55 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 120.672 -1.267 . . . . 0.0 108.254 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.89 -39.85 86.73 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.334 -0.854 . . . . 0.0 108.768 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.9 mt -69.31 117.77 11.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.152 -0.967 . . . . 0.0 108.751 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.661 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 71.3 m-80 -134.69 -69.4 0.52 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.257 -0.902 . . . . 0.0 110.549 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.27 116.82 5.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.202 -0.937 . . . . 0.0 109.538 -179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -100.35 129.93 46.39 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.401 -0.812 . . . . 0.0 110.436 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 61.49 25.3 64.96 Favored Glycine 0 N--CA 1.49 2.283 0 C-N-CA 120.021 -1.085 . . . . 0.0 110.434 178.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -76.12 23.7 0.14 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.859 -1.377 . . . . 0.0 109.492 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.467 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.71 99.84 1.27 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.986 -1.071 . . . . 0.0 110.426 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -108.46 11.79 26.64 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.195 -0.941 . . . . 0.0 109.555 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.482 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 22.4 mmm180 -133.59 23.15 3.99 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 177.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.539 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -150.57 153.11 35.17 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.269 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -101.22 60.33 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.102 -0.999 . . . . 0.0 108.525 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.98 157.4 43.11 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.526 -0.734 . . . . 0.0 109.363 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -129.6 132.21 46.71 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.89 112.24 24.13 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.908 -1.12 . . . . 0.0 109.349 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.61 121.47 44.27 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.661 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 57.3 t -123.8 83.3 54.57 Favored Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 121.417 -0.802 . . . . 0.0 110.174 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -86.73 62.54 4.5 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.909 2.406 . . . . 0.0 110.873 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' PRO . 22.2 t90 -69.19 132.55 89.96 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.408 ' C ' ' O ' ' A' ' 72' ' ' TRP . 78.1 Cg_exo -38.59 149.04 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 121.75 1.633 . . . . 0.0 110.889 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.53 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 38.1 t-20 -127.56 -53.99 1.35 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.242 -0.911 . . . . 0.0 110.175 -178.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.11 126.88 38.43 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.492 -0.755 . . . . 0.0 109.607 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.0 t -81.95 109.69 16.54 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -83.75 136.23 34.24 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.731 0.777 . . . . 0.0 110.478 -177.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 78' ' ' THR . 9.2 t -94.93 110.77 51.66 Favored Pre-proline 0 N--CA 1.493 1.684 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -90.58 -49.53 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.375 0 C-N-CA 121.787 1.658 . . . . 0.0 115.596 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -122.12 -43.05 2.34 Favored 'General case' 0 N--CA 1.507 2.41 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.645 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.8 p90 -59.57 -49.59 77.18 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.433 -1.417 . . . . 0.0 112.089 -175.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.645 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 63.7 t30 -71.09 -40.29 71.62 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.252 -1.53 . . . . 0.0 111.009 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.89 -50.13 74.98 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.067 -1.021 . . . . 0.0 110.657 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.84 -47.13 87.77 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.882 -1.137 . . . . 0.0 109.325 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.7 p -68.27 -39.93 82.01 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.481 -0.762 . . . . 0.0 110.199 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -66.89 -40.18 87.67 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.017 -1.052 . . . . 0.0 109.098 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -59.89 -40.59 89.25 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 118.677 -1.209 . . . . 0.0 108.553 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.96 -40.48 93.53 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.157 -0.965 . . . . 0.0 108.864 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.503 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 65.2 t90 -60.47 -49.64 76.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.302 -0.874 . . . . 0.0 109.353 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -63.12 -42.54 99.54 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.216 -0.927 . . . . 0.0 109.318 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 52.8 mtt-85 -62.09 -43.25 99.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.151 -0.968 . . . . 0.0 110.498 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -60.35 -41.8 94.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.974 -1.079 . . . . 0.0 109.037 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.77 -40.11 87.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.339 -0.851 . . . . 0.0 109.381 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.96 -39.98 94.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.145 -0.972 . . . . 0.0 110.745 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -70.05 -40.04 75.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.729 -1.232 . . . . 0.0 109.63 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.63 -41.07 88.91 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.103 -0.998 . . . . 0.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.21 -48.57 81.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.273 -0.892 . . . . 0.0 109.06 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.34 -42.93 99.5 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.557 -0.714 . . . . 0.0 109.743 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -64.39 -40.18 95.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.223 -0.923 . . . . 0.0 109.867 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.7 mt -67.79 -40.09 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.081 -1.012 . . . . 0.0 109.709 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 43.5 p -63.43 -40.32 96.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.941 -1.1 . . . . 0.0 109.481 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.77 -50.1 74.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.314 -0.866 . . . . 0.0 110.097 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 99.1 mt -61.44 -41.76 97.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.105 -0.997 . . . . 0.0 109.708 -179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.69 -43.8 97.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.157 -0.964 . . . . 0.0 109.256 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.96 -47.79 84.37 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.183 -0.948 . . . . 0.0 109.422 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.84 -40.2 94.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.053 -1.029 . . . . 0.0 109.475 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.03 -45.58 94.21 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.3 -0.875 . . . . 0.0 109.611 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.15 -48.28 82.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -0.943 . . . . 0.0 109.316 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.17 -48.78 86.7 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.286 -0.884 . . . . 0.0 108.682 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -67.68 -39.98 84.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.28 -0.888 . . . . 0.0 110.588 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -60.35 -50.01 75.33 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.991 -1.068 . . . . 0.0 109.912 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.05 -41.37 99.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.174 -0.954 . . . . 0.0 109.007 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -61.54 -42.41 98.78 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.348 -0.845 . . . . 0.0 110.113 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -62.22 -40.92 97.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.803 -1.186 . . . . 0.0 109.216 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.14 -40.77 78.04 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.268 -0.895 . . . . 0.0 108.588 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -60.02 -47.66 84.92 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.362 -0.836 . . . . 0.0 108.768 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.12 -40.09 92.46 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.29 -0.881 . . . . 0.0 109.098 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.41 -41.69 94.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.521 -0.737 . . . . 0.0 109.732 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.3 mt-30 -60.3 -40.68 91.36 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.027 -1.046 . . . . 0.0 109.596 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -60.76 -39.81 90.14 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.117 -0.989 . . . . 0.0 109.423 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.49 -49.37 78.04 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -116.23 59.12 0.74 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.428 -0.795 . . . . 0.0 109.139 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 119' ' ' GLN . 3.1 t . . . . . 0 N--CA 1.494 1.759 0 O-C-N 120.956 -1.09 . . . . 0.0 109.323 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' B' ' 2' ' ' GLN . 1.0 OUTLIER -78.81 145.0 34.54 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.481 -0.762 . . . . 0.0 109.316 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 37.8 p -88.84 59.73 5.19 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.2 -0.938 . . . . 0.0 108.972 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.0 -39.95 94.0 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.32 -0.863 . . . . 0.0 109.232 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -42.72 95.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.122 -0.986 . . . . 0.0 109.072 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.14 -43.14 99.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.095 -1.003 . . . . 0.0 108.635 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 41.2 mt -60.3 -39.98 88.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.678 -0.638 . . . . 0.0 110.104 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.11 -40.23 84.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.995 -1.065 . . . . 0.0 108.397 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.23 -45.81 46.52 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . 0.416 HG22 HD11 ' B' ' 10' ' ' ILE . 96.6 mt -60.24 -47.89 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.288 -1.125 . . . . 0.0 109.935 -179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.16 -41.16 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.132 -0.98 . . . . 0.0 108.457 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -61.09 -40.03 92.18 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -60.01 -45.47 92.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.456 -0.778 . . . . 0.0 109.884 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -60.48 -41.65 94.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.443 -0.786 . . . . 0.0 109.251 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -60.2 -46.76 88.62 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -0.891 . . . . 0.0 109.205 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.72 -41.52 95.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.209 -0.932 . . . . 0.0 109.952 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.0 -41.37 97.97 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.973 -1.079 . . . . 0.0 108.606 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.3 -43.46 96.28 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.96 -50.19 74.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.506 -0.746 . . . . 0.0 109.812 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 83.2 t -59.99 -41.54 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.157 -0.964 . . . . 0.0 109.386 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.13 -44.01 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.275 -0.891 . . . . 0.0 109.13 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -60.67 -41.37 94.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.516 -0.74 . . . . 0.0 109.184 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.404 ' HG2' HH11 ' B' ' 23' ' ' ARG . 55.9 mtt-85 -61.19 -39.92 92.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.414 -0.804 . . . . 0.0 109.894 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.44 -40.18 90.21 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.036 -1.04 . . . . 0.0 109.45 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.37 -42.14 95.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.865 . . . . 0.0 109.063 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.27 -40.14 81.96 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.318 -0.864 . . . . 0.0 109.008 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -64.2 -40.35 95.89 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.445 -0.784 . . . . 0.0 109.431 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.4 mt -60.2 -40.3 89.59 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.324 -0.86 . . . . 0.0 109.688 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.52 -41.06 96.75 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.109 -0.994 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.533 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 87.7 mt -62.23 -40.04 94.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.103 -0.998 . . . . 0.0 109.402 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 73.0 p -66.49 -40.09 89.1 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.226 -0.921 . . . . 0.0 109.467 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.51 -40.37 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.148 -0.97 . . . . 0.0 108.861 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -60.01 -43.94 94.92 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.383 -0.823 . . . . 0.0 110.32 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -47.45 90.93 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.25 -49.97 75.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.148 -1.207 . . . . 0.0 109.973 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -60.61 -39.85 89.7 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.194 -0.941 . . . . 0.0 109.522 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.411 ' O ' ' OG1' ' B' ' 40' ' ' THR . 54.9 t-20 -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.22 -0.925 . . . . 0.0 109.311 -179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.17 -39.96 88.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.927 . . . . 0.0 109.343 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -60.0 -40.08 87.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.34 -0.85 . . . . 0.0 109.709 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' B' ' 37' ' ' ASN . 57.2 p -60.0 -43.14 95.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.019 -1.051 . . . . 0.0 108.628 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.582 HH21 ' CG ' ' C' ' 82' ' ' ASN . 60.0 mtt-85 -64.21 -40.0 95.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.374 -0.828 . . . . 0.0 109.057 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.95 -45.32 95.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 C-N-CA 119.211 -0.996 . . . . 0.0 108.929 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -60.18 -41.9 93.89 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.034 -1.041 . . . . 0.0 109.982 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.03 98.69 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.07 -1.019 . . . . 0.0 108.874 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.02 -39.3 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.688 -0.632 . . . . 0.0 109.457 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.64 -40.31 87.23 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.103 -0.998 . . . . 0.0 109.516 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.33 -40.86 98.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.8 -1.187 . . . . 0.0 108.553 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.53 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 51.0 m-85 -67.12 -39.82 86.73 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.365 -0.834 . . . . 0.0 109.834 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 42.7 mt -59.84 -39.94 86.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.733 -1.229 . . . . 0.0 108.762 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.93 -39.35 85.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.932 -1.105 . . . . 0.0 109.114 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -59.8 -39.77 86.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.222 -0.924 . . . . 0.0 109.108 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.506 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.8 OUTLIER -59.94 -39.93 87.23 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.975 -1.078 . . . . 0.0 109.188 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.74 86.18 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 120.772 -1.205 . . . . 0.0 108.247 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.76 -39.81 86.05 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.16 -0.963 . . . . 0.0 108.85 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -69.42 117.85 11.55 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.017 -1.052 . . . . 0.0 108.645 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.667 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 70.5 m-80 -134.47 -69.36 0.52 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.095 -1.003 . . . . 0.0 110.461 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.15 117.0 5.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.219 -0.925 . . . . 0.0 109.658 -179.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -100.54 129.92 46.54 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.404 -0.81 . . . . 0.0 110.469 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.451 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 61.56 25.57 65.46 Favored Glycine 0 N--CA 1.489 2.229 0 C-N-CA 119.898 -1.144 . . . . 0.0 110.274 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -76.6 23.63 0.16 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.637 -1.508 . . . . 0.0 109.433 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.451 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.26 99.57 1.33 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.682 -1.261 . . . . 0.0 110.41 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -108.26 11.53 27.22 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.098 -1.001 . . . . 0.0 109.643 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.475 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 22.6 mmm180 -133.35 23.08 4.07 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 177.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.531 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -150.42 153.07 35.31 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.136 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.6 t -101.02 60.59 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.043 -1.036 . . . . 0.0 108.602 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.15 157.3 42.97 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.436 -0.79 . . . . 0.0 109.333 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -129.68 132.11 46.58 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.92 112.31 24.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.927 -1.108 . . . . 0.0 109.316 -179.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.64 121.87 45.46 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.667 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 53.5 t -124.36 83.41 57.23 Favored Pre-proline 0 N--CA 1.499 1.99 0 O-C-N 121.415 -0.803 . . . . 0.0 110.153 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -86.62 62.65 4.61 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 122.902 2.401 . . . . 0.0 110.756 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.413 ' O ' ' C ' ' B' ' 73' ' ' PRO . 23.0 t90 -69.3 132.51 89.76 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.376 -0.827 . . . . 0.0 109.106 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.413 ' C ' ' O ' ' B' ' 72' ' ' TRP . 83.2 Cg_exo -38.38 149.27 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 121.695 1.597 . . . . 0.0 110.858 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.549 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 36.7 t-20 -127.79 -54.3 1.32 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.217 -0.927 . . . . 0.0 109.899 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.25 126.97 38.65 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.294 -0.879 . . . . 0.0 109.572 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.2 t -81.82 109.91 16.64 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.1 mt -83.79 136.18 34.25 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 121.624 0.726 . . . . 0.0 110.54 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.432 ' CG2' ' O ' ' B' ' 78' ' ' THR . 9.2 t -94.72 111.46 54.3 Favored Pre-proline 0 N--CA 1.493 1.687 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -91.07 -50.06 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.267 0 C-N-CA 121.824 1.682 . . . . 0.0 115.193 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -121.55 -42.97 2.41 Favored 'General case' 0 N--CA 1.508 2.45 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -176.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.66 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.7 p90 -59.61 -49.52 77.45 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.435 -1.416 . . . . 0.0 112.133 -175.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.66 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 63.0 t30 -71.08 -40.56 71.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.234 -1.541 . . . . 0.0 110.844 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -60.15 -49.97 75.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.018 -1.051 . . . . 0.0 110.666 -178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.49 -47.15 87.39 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.835 -1.166 . . . . 0.0 109.248 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 70.5 p -68.5 -40.17 80.98 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.317 -0.865 . . . . 0.0 110.151 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -66.51 -40.14 89.06 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.94 -1.1 . . . . 0.0 109.319 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.1 -40.31 89.22 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.658 -1.276 . . . . 0.0 108.482 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.93 -40.76 94.45 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.075 -1.015 . . . . 0.0 108.944 178.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.53 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 64.7 t90 -60.09 -49.87 75.95 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.187 -0.945 . . . . 0.0 109.225 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -63.38 -42.4 98.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.206 -0.934 . . . . 0.0 109.231 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 53.3 mtt-85 -62.03 -43.53 98.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.149 -0.97 . . . . 0.0 110.305 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -60.05 -41.39 92.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.701 -1.25 . . . . 0.0 109.235 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.03 -40.14 88.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.294 -0.879 . . . . 0.0 109.265 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.76 -40.21 94.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.121 -0.987 . . . . 0.0 110.741 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -69.86 -39.95 76.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.814 -1.179 . . . . 0.0 109.602 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.83 -41.03 88.12 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.198 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.16 -48.63 80.92 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.294 -0.879 . . . . 0.0 108.965 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -61.38 -43.52 98.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.56 -0.713 . . . . 0.0 109.567 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -63.96 -40.15 95.75 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.235 -0.915 . . . . 0.0 109.955 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -67.69 -40.32 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.138 -0.977 . . . . 0.0 109.594 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.6 p -63.46 -40.26 96.66 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.941 -1.1 . . . . 0.0 109.51 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.78 -49.88 75.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.296 -0.877 . . . . 0.0 110.098 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 99.2 mt -61.6 -41.77 97.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.138 -0.976 . . . . 0.0 109.58 -179.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.72 -43.38 97.94 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.18 -0.95 . . . . 0.0 109.166 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.08 -47.91 83.93 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.189 -0.944 . . . . 0.0 109.462 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.8 -40.4 95.17 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.171 -0.956 . . . . 0.0 109.552 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.72 92.91 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.197 -0.939 . . . . 0.0 109.574 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.28 -48.1 83.19 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.193 -0.942 . . . . 0.0 109.391 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.417 HG22 HD11 ' B' ' 109' ' ' ILE . 96.7 mt -60.08 -49.04 85.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 121.332 -0.855 . . . . 0.0 108.735 179.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -67.64 -40.01 84.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.417 -0.802 . . . . 0.0 110.568 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.54 -50.04 75.14 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.1 -1.0 . . . . 0.0 110.014 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -62.69 -41.75 99.27 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.161 -0.962 . . . . 0.0 109.001 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -61.39 -42.3 98.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.359 -0.838 . . . . 0.0 110.083 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.34 -41.15 98.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.836 -1.165 . . . . 0.0 109.199 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -68.81 -40.72 79.41 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.23 -0.919 . . . . 0.0 108.703 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -60.19 -47.83 84.3 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.0 -39.93 91.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.214 -0.929 . . . . 0.0 109.134 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.67 -41.21 94.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.459 -0.776 . . . . 0.0 109.881 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.6 mt-30 -60.45 -40.79 92.44 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.151 -0.968 . . . . 0.0 109.598 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -60.63 -39.63 88.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.206 -0.934 . . . . 0.0 109.456 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.55 -49.51 77.49 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -116.13 58.99 0.74 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.652 -0.655 . . . . 0.0 109.311 178.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.411 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.8 t . . . . . 0 N--CA 1.493 1.697 0 O-C-N 120.947 -1.096 . . . . 0.0 109.439 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.494 ' N ' ' OE1' ' C' ' 2' ' ' GLN . 1.0 OUTLIER -79.28 144.99 33.77 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.31 -0.868 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 38.7 p -89.03 59.88 5.19 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.137 -0.977 . . . . 0.0 108.908 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.67 -39.91 93.09 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.348 -0.845 . . . . 0.0 109.137 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.3 -43.11 96.58 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.123 -0.985 . . . . 0.0 109.255 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.91 -43.17 99.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.181 -0.949 . . . . 0.0 108.54 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 39.5 mt -60.46 -39.85 89.04 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.564 -0.71 . . . . 0.0 110.167 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.06 84.53 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.973 -1.079 . . . . 0.0 108.463 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.01 -45.93 47.65 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.16 -48.32 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.178 -1.19 . . . . 0.0 109.785 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.15 -41.27 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.91 -39.95 91.28 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.453 -0.779 . . . . 0.0 108.951 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -60.3 -45.62 92.72 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.412 -0.805 . . . . 0.0 109.454 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -60.28 -41.61 93.69 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.406 -0.809 . . . . 0.0 109.321 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.14 -46.77 88.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.15 -0.969 . . . . 0.0 109.333 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.74 -41.26 95.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.297 -0.877 . . . . 0.0 109.933 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.31 -40.82 97.58 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.034 -1.041 . . . . 0.0 108.675 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.6 -43.61 97.2 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -60.07 -49.99 75.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.409 -0.807 . . . . 0.0 109.727 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.23 -40.84 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.033 -1.042 . . . . 0.0 109.558 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.68 -43.94 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.189 -0.944 . . . . 0.0 109.086 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -60.66 -41.37 94.86 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 55.0 mtt-85 -61.11 -40.13 92.6 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.43 -0.794 . . . . 0.0 109.94 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.49 -40.29 90.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.251 -0.906 . . . . 0.0 109.407 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -59.95 -42.54 94.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.341 -0.849 . . . . 0.0 108.912 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.05 -40.12 82.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.19 -0.944 . . . . 0.0 109.112 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.1 tp -64.22 -40.3 95.77 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.477 -0.764 . . . . 0.0 109.508 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 23.6 mt -60.49 -40.45 91.38 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.307 -0.871 . . . . 0.0 109.467 179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.18 -40.46 94.0 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.161 -0.962 . . . . 0.0 109.52 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.503 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.9 mt -62.96 -40.11 96.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.201 -0.937 . . . . 0.0 109.081 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.0 p -65.86 -40.29 91.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.042 -1.036 . . . . 0.0 109.546 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.2 -40.37 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.267 -0.896 . . . . 0.0 109.074 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -60.15 -44.38 95.01 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.515 -0.741 . . . . 0.0 110.341 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.82 -46.91 93.28 Favored Glycine 0 N--CA 1.489 2.197 0 C-N-CA 119.397 -1.383 . . . . 0.0 109.945 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.55 -49.92 75.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.124 -1.221 . . . . 0.0 110.008 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -60.51 -40.07 90.08 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.115 -0.991 . . . . 0.0 109.417 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.424 ' O ' ' OG1' ' C' ' 40' ' ' THR . 53.6 t-20 -59.9 -40.11 87.66 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.318 -0.864 . . . . 0.0 109.315 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.94 -40.03 87.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.165 -0.959 . . . . 0.0 109.333 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -60.09 -40.0 88.1 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.155 -0.966 . . . . 0.0 109.49 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' C' ' 37' ' ' ASN . 57.9 p -59.84 -43.66 94.5 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.027 -1.046 . . . . 0.0 108.753 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.604 HH21 ' CG ' ' A' ' 82' ' ' ASN . 60.8 mtt-85 -63.81 -39.95 95.47 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.331 -0.855 . . . . 0.0 109.165 178.575 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.12 -45.31 95.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 C-N-CA 119.319 -0.953 . . . . 0.0 108.801 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 70.0 p -60.03 -42.19 93.87 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.027 -1.045 . . . . 0.0 109.912 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.3 96.6 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.089 -1.007 . . . . 0.0 108.934 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.09 -38.9 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.641 -0.662 . . . . 0.0 109.469 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -59.9 -40.46 88.85 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.334 -0.854 . . . . 0.0 109.56 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.2 -41.12 99.13 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.832 -1.147 . . . . 0.0 108.524 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.53 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 51.7 m-85 -66.9 -39.9 87.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.548 -0.72 . . . . 0.0 109.845 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 40.5 mt -59.83 -40.03 87.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.724 -1.235 . . . . 0.0 108.578 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.84 -39.69 85.98 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.924 -1.11 . . . . 0.0 109.015 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -59.65 -39.55 84.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.017 -1.052 . . . . 0.0 109.017 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.492 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.9 OUTLIER -60.04 -39.93 87.6 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.834 -1.166 . . . . 0.0 109.356 -179.869 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.81 -39.58 85.49 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.757 -1.214 . . . . 0.0 108.18 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.81 -39.78 86.2 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.287 -0.883 . . . . 0.0 108.92 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 55.3 mt -69.71 117.7 11.64 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.114 -0.991 . . . . 0.0 108.639 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.673 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 70.3 m-80 -134.45 -69.6 0.52 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.348 -0.845 . . . . 0.0 110.57 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.07 116.87 5.49 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.254 -0.904 . . . . 0.0 109.429 -179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -100.56 129.85 46.55 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.458 -0.776 . . . . 0.0 110.162 -179.344 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.461 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 61.76 25.24 65.4 Favored Glycine 0 N--CA 1.49 2.257 0 C-N-CA 120.11 -1.043 . . . . 0.0 110.591 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -76.56 24.01 0.15 Allowed 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.606 -1.526 . . . . 0.0 109.669 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.461 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.48 99.18 1.29 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.983 -1.073 . . . . 0.0 110.466 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -107.97 11.59 27.73 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.185 -0.947 . . . . 0.0 109.64 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.475 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 22.5 mmm180 -133.31 23.03 4.08 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.539 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -150.48 153.02 35.13 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.183 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.5 t -101.01 60.48 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.996 -1.065 . . . . 0.0 108.646 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.93 157.55 43.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.472 -0.768 . . . . 0.0 109.418 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -129.71 132.02 46.5 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.61 112.22 24.09 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.827 -1.171 . . . . 0.0 109.385 -179.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.49 121.62 44.82 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.673 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 55.5 t -123.94 83.1 55.35 Favored Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 121.341 -0.849 . . . . 0.0 110.286 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -86.62 62.66 4.61 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.992 2.461 . . . . 0.0 110.962 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' C' ' 73' ' ' PRO . 23.4 t90 -69.47 132.69 89.34 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.532 -0.73 . . . . 0.0 109.155 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.401 ' C ' ' O ' ' C' ' 72' ' ' TRP . 79.0 Cg_exo -38.44 149.06 0.08 OUTLIER 'Trans proline' 0 N--CA 1.488 1.162 0 C-N-CA 121.589 1.526 . . . . 0.0 110.978 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.53 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 37.2 t-20 -127.68 -54.54 1.33 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.271 -0.893 . . . . 0.0 110.027 -178.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.08 126.85 38.38 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.374 -0.829 . . . . 0.0 109.542 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 11.4 t -81.74 109.75 16.43 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 36.2 mt -83.59 136.3 34.29 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.759 0.79 . . . . 0.0 110.454 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.444 ' O ' ' CG2' ' C' ' 78' ' ' THR . 9.0 t -94.97 111.23 53.84 Favored Pre-proline 0 N--CA 1.492 1.675 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -91.15 -49.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.407 0 C-N-CA 121.821 1.681 . . . . 0.0 115.38 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -121.84 -42.82 2.38 Favored 'General case' 0 N--CA 1.507 2.401 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -176.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.658 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.9 p90 -59.9 -49.67 76.79 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.359 -1.463 . . . . 0.0 112.045 -175.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.658 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 63.3 t30 -70.89 -40.29 72.31 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.355 -1.465 . . . . 0.0 110.85 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -60.01 -50.2 74.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.937 -1.102 . . . . 0.0 110.604 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.73 -46.79 89.08 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.898 -1.126 . . . . 0.0 109.389 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 72.4 p -68.68 -40.24 80.2 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.446 -0.784 . . . . 0.0 110.168 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 -66.47 -40.01 89.12 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 118.865 -1.134 . . . . 0.0 109.506 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.15 -40.34 89.52 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 118.575 -1.25 . . . . 0.0 108.586 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.87 -40.69 93.93 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.086 -1.009 . . . . 0.0 108.709 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.533 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 65.9 t90 -60.03 -49.87 75.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.182 -0.949 . . . . 0.0 109.346 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -63.25 -41.75 99.09 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.176 -0.953 . . . . 0.0 109.411 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 52.4 mtt-85 -62.6 -43.41 98.88 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.169 -0.957 . . . . 0.0 110.431 -179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -60.26 -41.22 92.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.88 -1.138 . . . . 0.0 109.203 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.14 -40.29 88.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.368 -0.832 . . . . 0.0 109.182 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.86 -40.03 93.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.363 -0.835 . . . . 0.0 110.908 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -70.0 -39.98 75.56 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.776 -1.202 . . . . 0.0 109.608 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.86 -41.15 87.79 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.107 -0.996 . . . . 0.0 109.107 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.26 -48.19 82.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 108.948 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.79 -42.86 99.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.386 -0.821 . . . . 0.0 109.7 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -64.45 -40.38 95.61 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.31 -0.869 . . . . 0.0 109.724 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 82.8 mt -67.55 -39.94 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.233 -0.917 . . . . 0.0 109.731 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 42.2 p -63.63 -40.27 96.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.951 -1.093 . . . . 0.0 109.356 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.86 -49.98 75.28 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.229 -0.919 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 98.3 mt -61.56 -41.67 97.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.06 -1.025 . . . . 0.0 109.686 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.96 -43.46 98.7 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.144 -0.973 . . . . 0.0 109.16 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.84 -47.76 84.41 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.201 -0.937 . . . . 0.0 109.651 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.03 -40.2 94.49 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.239 -0.913 . . . . 0.0 109.303 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.74 93.36 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.223 -0.923 . . . . 0.0 109.59 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.18 -48.17 82.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.183 -0.948 . . . . 0.0 109.261 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.87 -49.31 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -67.44 -40.05 85.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.5 -0.75 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -60.33 -50.09 75.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.031 -1.043 . . . . 0.0 109.945 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -62.42 -42.02 99.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.078 -1.014 . . . . 0.0 109.078 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -60.86 -42.77 98.53 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.442 -0.786 . . . . 0.0 110.128 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.1 -41.75 98.52 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.768 -1.208 . . . . 0.0 109.22 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -68.44 -40.63 81.06 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.027 -1.046 . . . . 0.0 108.642 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -60.18 -47.74 84.65 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.08 -40.13 92.53 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.379 -0.825 . . . . 0.0 109.185 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.4 -41.31 93.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.517 -0.739 . . . . 0.0 109.745 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.4 mt-30 -60.46 -41.33 93.92 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.007 -1.058 . . . . 0.0 109.643 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -60.16 -39.57 86.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.057 -1.027 . . . . 0.0 109.505 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.6 -49.38 78.0 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -116.02 59.03 0.73 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.64 -0.662 . . . . 0.0 109.338 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.407 ' N ' ' O ' ' C' ' 119' ' ' GLN . 3.1 t . . . . . 0 N--CA 1.494 1.75 0 O-C-N 120.987 -1.071 . . . . 0.0 109.494 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.542 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 84.8 mt-30 -69.53 145.04 52.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.286 -0.884 . . . . 0.0 109.792 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 m -89.17 63.19 6.49 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.347 -0.846 . . . . 0.0 109.04 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.13 -40.07 94.7 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.567 -0.708 . . . . 0.0 109.263 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.404 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 12.9 t -60.14 -42.26 94.46 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.139 -0.976 . . . . 0.0 109.046 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.404 ' N ' ' CG2' ' A' ' 5' ' ' THR . 64.4 tp -61.52 -41.35 97.19 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.9 mt -63.73 -39.15 93.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.499 -0.751 . . . . 0.0 109.325 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.35 91.88 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.062 -1.024 . . . . 0.0 108.616 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.53 -46.81 73.84 Favored Glycine 0 N--CA 1.486 2.015 0 N-CA-C 108.539 -1.824 . . . . 0.0 108.539 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.08 -50.02 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.471 -1.017 . . . . 0.0 109.387 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 69.2 t -60.5 -44.45 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.165 -0.959 . . . . 0.0 108.956 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.23 -40.18 93.06 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.48 -0.763 . . . . 0.0 109.207 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.03 -41.87 93.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.392 -0.817 . . . . 0.0 109.392 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.17 -40.69 90.81 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.054 -1.029 . . . . 0.0 109.543 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -60.19 -43.35 95.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.886 . . . . 0.0 108.613 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -62.11 -45.9 91.44 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.246 -0.909 . . . . 0.0 109.55 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.2 -43.85 95.6 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.216 -0.928 . . . . 0.0 109.055 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.89 -45.27 93.04 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.292 -0.88 . . . . 0.0 108.951 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -60.14 -47.13 87.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.384 -0.822 . . . . 0.0 109.722 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.08 -40.47 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.076 -1.015 . . . . 0.0 109.842 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -42.36 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.07 -1.019 . . . . 0.0 108.395 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -60.45 -40.37 90.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.536 -0.727 . . . . 0.0 109.122 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.568 ' NH1' HD21 ' B' ' 99' ' ' ASN . 31.1 mmt180 -60.11 -40.17 88.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.31 -0.869 . . . . 0.0 109.091 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -61.28 -39.97 92.41 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.22 -0.925 . . . . 0.0 109.438 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -60.13 -49.34 78.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.256 -0.902 . . . . 0.0 108.987 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.9 -44.28 97.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.333 -0.854 . . . . 0.0 109.36 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.05 -40.46 95.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.563 -0.711 . . . . 0.0 109.388 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.47 -40.67 92.09 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.275 -0.891 . . . . 0.0 109.709 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -60.56 -41.06 93.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.097 -1.002 . . . . 0.0 109.389 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.504 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.3 mt -61.32 -41.24 96.69 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.568 -0.707 . . . . 0.0 109.825 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -65.85 -40.02 91.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.095 -1.003 . . . . 0.0 109.557 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.11 -40.46 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.09 -1.006 . . . . 0.0 109.204 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -59.8 -43.8 94.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.291 -0.881 . . . . 0.0 109.919 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.47 -49.09 82.27 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.51 -50.06 75.06 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.158 -1.201 . . . . 0.0 110.272 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -61.35 -40.4 94.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.138 -0.976 . . . . 0.0 109.769 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.451 HD22 HH21 ' A' ' 41' ' ' ARG . 41.0 t30 -59.99 -41.58 92.37 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.254 -0.904 . . . . 0.0 109.64 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.19 -40.06 88.7 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.151 -0.968 . . . . 0.0 109.48 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -60.16 -42.47 95.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.043 -1.035 . . . . 0.0 109.645 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' A' ' 43' ' ' THR . 73.4 p -60.15 -40.54 90.24 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.97 -1.081 . . . . 0.0 108.377 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.511 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 44.1 mtt-85 -67.66 -40.03 84.53 Favored 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.609 -0.836 . . . . 0.0 108.76 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.0 -41.58 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 40' ' ' THR . 75.9 p -60.09 -40.15 88.61 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.919 -1.113 . . . . 0.0 109.465 179.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.86 97.12 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.021 -1.049 . . . . 0.0 108.487 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.401 HD11 HG22 ' A' ' 45' ' ' ILE . 85.0 mt -61.51 -37.17 77.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.792 -0.568 . . . . 0.0 109.555 179.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.11 -40.1 88.51 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.17 -0.956 . . . . 0.0 108.91 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -64.55 -42.57 95.63 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.282 -0.886 . . . . 0.0 109.734 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.585 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 57.1 m-85 -67.87 -39.91 83.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.206 -0.934 . . . . 0.0 110.368 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.539 ' CD2' HE22 ' A' ' 52' ' ' GLN . 44.0 mt -60.17 -40.17 88.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.674 -1.266 . . . . 0.0 108.955 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -60.54 -40.08 90.24 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.643 -1.286 . . . . 0.0 108.952 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -59.98 -39.84 87.07 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.297 -0.877 . . . . 0.0 109.817 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.539 HE22 ' CD2' ' A' ' 49' ' ' LEU . 1.6 pt20 -59.69 -38.64 82.11 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.07 -1.018 . . . . 0.0 108.837 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.85 -39.19 80.55 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.931 -1.105 . . . . 0.0 108.041 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.01 -39.51 86.04 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.8 mt -70.53 117.96 12.73 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.077 -1.014 . . . . 0.0 108.684 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -133.19 -63.05 0.78 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.336 -0.852 . . . . 0.0 110.599 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.57 117.83 4.5 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.152 -0.967 . . . . 0.0 109.67 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -101.43 124.27 46.83 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.398 -0.814 . . . . 0.0 110.628 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 68.53 22.98 75.31 Favored Glycine 0 N--CA 1.493 2.469 0 O-C-N 121.101 -1.0 . . . . 0.0 110.794 178.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.58 24.24 0.21 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.752 -1.44 . . . . 0.0 110.146 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.93 110.69 2.4 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.885 -1.135 . . . . 0.0 110.398 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.438 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 36.3 m-85 -117.45 11.95 14.04 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.335 -0.853 . . . . 0.0 109.388 178.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -137.79 23.85 2.86 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 177.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.405 ' NE2' ' CG ' ' C' ' 62' ' ' PHE . 17.4 mp0 -146.44 151.77 37.95 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.0 t -101.44 57.28 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.914 -1.116 . . . . 0.0 108.234 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.24 158.28 42.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.695 -0.628 . . . . 0.0 109.757 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -128.33 133.89 48.78 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 9.4 t -89.45 113.2 24.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.5 -1.375 . . . . 0.0 109.669 -178.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 122.75 47.39 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.3 t -128.68 82.68 68.15 Favored Pre-proline 0 N--CA 1.497 1.881 0 O-C-N 121.255 -0.903 . . . . 0.0 109.536 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -87.35 60.84 3.77 Favored 'Trans proline' 0 C--N 1.312 -1.363 0 C-N-CA 122.972 2.448 . . . . 0.0 111.332 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' PRO . 17.0 t90 -69.53 129.95 91.05 Favored Pre-proline 0 C--N 1.299 -1.605 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' TRP . 91.0 Cg_exo -41.09 148.03 0.26 Allowed 'Trans proline' 0 N--CA 1.489 1.209 0 C-N-CA 121.235 1.29 . . . . 0.0 110.811 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 10.8 t-20 -125.36 -53.55 1.59 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.386 -0.822 . . . . 0.0 109.316 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.8 124.95 34.15 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.2 t -81.85 107.14 14.34 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.5 mt -81.72 136.47 35.46 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.835 0.826 . . . . 0.0 110.156 -178.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -94.03 113.04 59.59 Favored Pre-proline 0 C--N 1.298 -1.672 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -87.61 -47.73 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 121.622 1.548 . . . . 0.0 114.393 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -120.94 -44.57 2.41 Favored 'General case' 0 N--CA 1.51 2.545 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -177.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.58 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.1 p90 -59.94 -45.23 93.29 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.368 -1.458 . . . . 0.0 112.766 -175.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.58 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.3 t30 -75.11 -46.93 31.27 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.118 -1.614 . . . . 0.0 110.434 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.95 -50.25 74.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.322 -0.861 . . . . 0.0 110.698 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.54 -45.12 95.02 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.912 -1.117 . . . . 0.0 109.264 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.5 p -68.28 -39.94 81.98 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.284 -0.885 . . . . 0.0 109.902 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -66.84 -39.83 87.76 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.0 -1.063 . . . . 0.0 109.255 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -59.95 -41.08 91.08 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.689 -1.257 . . . . 0.0 108.901 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.18 -39.95 96.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.105 -0.997 . . . . 0.0 108.756 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.486 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 72.5 t90 -60.01 -50.15 74.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.455 -0.778 . . . . 0.0 109.45 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -62.1 -42.39 99.18 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.094 -1.004 . . . . 0.0 109.605 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.438 ' HG2' HH11 ' A' ' 91' ' ' ARG . 0.9 OUTLIER -61.16 -42.21 98.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.349 -0.844 . . . . 0.0 110.367 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -60.16 -42.56 95.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.826 -1.171 . . . . 0.0 109.406 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -61.04 -41.39 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.228 -0.92 . . . . 0.0 109.085 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -59.98 -45.42 92.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.198 -0.939 . . . . 0.0 110.139 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -61.27 -42.68 99.05 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.919 -1.113 . . . . 0.0 109.544 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.65 -40.36 92.38 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 119.601 -0.84 . . . . 0.0 109.569 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.87 -40.13 94.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.015 -1.053 . . . . 0.0 109.683 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.3 -39.95 77.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 0.0 109.714 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.515 HD21 ' NH1' ' C' ' 23' ' ' ARG . 96.6 m-20 -67.33 -40.26 85.9 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.16 -0.962 . . . . 0.0 109.956 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.69 -40.26 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.126 -0.984 . . . . 0.0 109.369 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.2 p -63.07 -40.87 98.97 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.153 -0.967 . . . . 0.0 109.897 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.11 -43.0 96.64 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.048 -1.033 . . . . 0.0 109.861 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.97 -40.49 91.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.189 -0.944 . . . . 0.0 109.446 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.45 -41.16 96.69 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.232 -0.917 . . . . 0.0 109.027 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.02 -50.17 74.8 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.311 -0.868 . . . . 0.0 109.57 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.56 -41.33 98.84 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.272 -0.892 . . . . 0.0 108.968 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.33 82.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.463 -0.773 . . . . 0.0 109.802 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.56 -45.4 94.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.25 -0.906 . . . . 0.0 109.49 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.9 mt -60.33 -49.57 83.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.306 -0.871 . . . . 0.0 109.019 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -67.77 -40.02 84.08 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.118 -0.988 . . . . 0.0 110.203 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -59.95 -44.52 94.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.01 -1.056 . . . . 0.0 110.053 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.65 -39.94 88.45 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.159 -0.963 . . . . 0.0 109.382 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -66.37 -39.96 89.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 0.0 109.736 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -62.46 -42.36 99.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -0.921 . . . . 0.0 109.669 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 26.2 ttt -68.66 -40.13 80.34 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.051 -1.03 . . . . 0.0 108.642 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -60.56 -48.57 81.19 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.421 -0.799 . . . . 0.0 109.384 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.06 -40.11 88.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.277 -0.889 . . . . 0.0 109.366 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.86 -42.32 93.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.357 -0.839 . . . . 0.0 109.606 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.7 mt-30 -61.74 -40.65 95.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.059 -1.026 . . . . 0.0 109.598 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -60.21 -39.1 85.4 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.244 -0.91 . . . . 0.0 109.402 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 88.4 mt -58.43 -48.63 80.07 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -121.82 59.87 0.98 Allowed 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.493 1.695 0 O-C-N 120.989 -1.07 . . . . 0.0 109.111 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.492 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.164 0.507 . . . . 0.0 109.688 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . 0.542 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 84.0 mt-30 -69.77 144.85 52.57 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.432 -0.793 . . . . 0.0 109.676 -179.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.3 m -88.89 63.11 6.65 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.37 -0.831 . . . . 0.0 109.084 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.04 -40.03 94.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.565 -0.71 . . . . 0.0 109.211 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.403 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 13.2 t -60.44 -41.95 95.1 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.196 -0.94 . . . . 0.0 108.934 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' B' ' 5' ' ' THR . 63.1 tp -61.97 -40.7 96.5 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.19 -39.63 94.4 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.574 -0.704 . . . . 0.0 109.142 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -41.12 90.36 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.052 -1.03 . . . . 0.0 108.47 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.77 -46.8 71.71 Favored Glycine 0 N--CA 1.485 1.925 0 N-CA-C 108.546 -1.821 . . . . 0.0 108.546 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.14 -49.98 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.394 -1.063 . . . . 0.0 109.438 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 68.5 t -60.14 -44.32 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.384 -0.822 . . . . 0.0 108.958 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.6 -39.96 93.09 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.525 -0.735 . . . . 0.0 109.169 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.12 -41.96 93.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.338 -0.851 . . . . 0.0 109.385 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -60.1 -40.75 90.73 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.041 -1.037 . . . . 0.0 109.336 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -60.02 -43.28 95.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.073 -1.017 . . . . 0.0 108.896 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -62.01 -46.25 90.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 109.433 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.02 -43.9 94.96 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.245 -0.909 . . . . 0.0 109.211 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.87 -45.43 92.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.279 -0.888 . . . . 0.0 108.994 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.02 -46.98 87.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.308 -0.87 . . . . 0.0 109.695 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.05 -40.76 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.988 -1.07 . . . . 0.0 109.84 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.08 -41.81 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.55 -40.38 91.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.429 -0.794 . . . . 0.0 109.118 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.48 ' NH1' HD21 ' C' ' 99' ' ' ASN . 31.0 mmt180 -60.38 -40.06 89.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.365 -0.834 . . . . 0.0 109.124 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -61.1 -40.15 92.66 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 119.718 -0.793 . . . . 0.0 109.599 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -60.09 -49.44 77.63 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.344 -0.848 . . . . 0.0 108.993 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.55 -44.35 96.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.343 -0.848 . . . . 0.0 109.422 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.3 tp -62.05 -40.6 96.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.455 -0.778 . . . . 0.0 109.532 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.12 -41.01 91.71 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.364 -0.835 . . . . 0.0 109.529 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 mtt-85 -60.61 -41.4 94.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.143 -0.973 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.486 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 84.8 mt -61.06 -41.06 95.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.11 -0.994 . . . . 0.0 110.025 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 79.8 p -65.76 -39.89 91.51 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.128 -0.982 . . . . 0.0 109.534 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.74 -40.04 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.056 -1.028 . . . . 0.0 109.223 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -60.06 -44.1 94.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.421 -0.799 . . . . 0.0 109.886 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.37 -48.93 83.59 Favored Glycine 0 N--CA 1.484 1.871 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.83 -49.99 75.25 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.101 -1.235 . . . . 0.0 110.132 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -61.33 -40.58 94.78 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.986 -1.071 . . . . 0.0 109.787 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.468 HD22 HH21 ' B' ' 41' ' ' ARG . 40.5 t30 -60.0 -40.77 90.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.238 -0.913 . . . . 0.0 109.644 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.91 -40.0 91.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.215 -0.928 . . . . 0.0 109.368 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -60.24 -42.15 94.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.125 -0.984 . . . . 0.0 109.541 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.419 ' O ' ' OG1' ' B' ' 43' ' ' THR . 76.5 p -60.05 -40.63 90.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.022 -1.049 . . . . 0.0 108.581 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.482 ' NH2' ' CG ' ' C' ' 82' ' ' ASN . 44.7 mtt-85 -67.7 -39.98 84.33 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.1 -41.45 86.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' B' ' 40' ' ' THR . 72.6 p -60.28 -40.04 89.01 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.883 -1.136 . . . . 0.0 109.321 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -42.79 97.74 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.004 -1.06 . . . . 0.0 108.463 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.62 -36.97 76.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.764 -0.585 . . . . 0.0 109.647 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.11 88.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.005 -1.059 . . . . 0.0 108.916 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -64.7 -42.7 95.11 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.887 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.57 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 59.2 m-85 -67.63 -40.02 84.64 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.286 -0.884 . . . . 0.0 110.128 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.537 ' CD2' HE22 ' B' ' 52' ' ' GLN . 42.6 mt -60.04 -40.38 89.2 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.795 -1.191 . . . . 0.0 109.046 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -60.05 -40.25 88.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.77 -1.207 . . . . 0.0 109.125 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -59.97 -39.54 86.04 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.564 -0.71 . . . . 0.0 109.626 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.537 HE22 ' CD2' ' B' ' 49' ' ' LEU . 1.6 pt20 -59.93 -38.77 83.33 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.709 -1.244 . . . . 0.0 109.013 -179.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.91 -38.9 79.99 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 120.807 -1.183 . . . . 0.0 107.841 179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.05 -39.6 86.52 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.305 -0.872 . . . . 0.0 109.055 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 41.1 mt -70.73 117.97 12.93 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.132 -0.98 . . . . 0.0 108.626 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -133.2 -62.7 0.79 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.4 -0.813 . . . . 0.0 110.647 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.64 117.72 4.45 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.066 -1.021 . . . . 0.0 109.672 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.4 ' H ' ' HB1' ' C' ' 57' ' ' ALA . 65.5 m95 -101.3 123.74 45.88 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.418 -0.801 . . . . 0.0 110.666 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.403 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 69.12 23.1 76.24 Favored Glycine 0 N--CA 1.497 2.703 0 C-N-CA 120.261 -0.971 . . . . 0.0 110.824 178.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.78 24.43 0.22 Allowed 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.941 -1.329 . . . . 0.0 110.228 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.403 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.98 109.93 2.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.803 -1.186 . . . . 0.0 110.461 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.447 ' CG ' ' NE2' ' C' ' 64' ' ' GLN . 35.0 m-85 -116.64 11.71 14.76 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.208 -0.932 . . . . 0.0 109.018 178.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -137.49 23.69 2.93 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.438 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 18.0 mp0 -146.58 151.94 38.13 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 t -101.04 57.3 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.075 -1.016 . . . . 0.0 108.455 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.34 158.27 42.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.623 -0.673 . . . . 0.0 109.666 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -128.33 133.71 48.75 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 9.5 t -89.37 113.24 24.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.653 -1.28 . . . . 0.0 109.653 -178.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.02 122.82 47.38 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 90.9 t -128.73 82.32 68.92 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 121.345 -0.847 . . . . 0.0 109.706 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -87.08 61.43 4.05 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 C-N-CA 122.993 2.462 . . . . 0.0 111.199 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' B' ' 73' ' ' PRO . 17.6 t90 -70.1 129.89 90.26 Favored Pre-proline 0 C--N 1.301 -1.504 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.411 ' C ' ' O ' ' B' ' 72' ' ' TRP . 98.6 Cg_exo -41.21 147.91 0.29 Allowed 'Trans proline' 0 N--CA 1.487 1.1 0 C-N-CA 121.142 1.228 . . . . 0.0 110.887 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.585 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 10.7 t-20 -125.3 -53.16 1.61 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.247 -0.908 . . . . 0.0 109.416 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.95 125.07 34.31 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 38.8 t -81.86 107.66 14.76 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.7 mt -81.92 136.71 35.29 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.906 0.86 . . . . 0.0 110.185 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 1.8 t -94.12 112.84 58.94 Favored Pre-proline 0 N--CA 1.492 1.641 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -87.16 -47.66 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.169 0 C-N-CA 121.683 1.589 . . . . 0.0 114.475 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -121.23 -44.43 2.38 Favored 'General case' 0 N--CA 1.509 2.501 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -176.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.589 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -60.07 -45.75 91.86 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.508 -1.37 . . . . 0.0 112.709 -175.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.589 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.3 t30 -74.71 -46.56 36.77 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.128 -1.608 . . . . 0.0 110.583 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -60.08 -50.08 75.11 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.299 -0.876 . . . . 0.0 110.909 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.68 -45.16 95.21 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.789 -1.194 . . . . 0.0 109.284 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.8 p -68.36 -40.07 81.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.213 -0.93 . . . . 0.0 109.918 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -66.27 -40.07 89.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.046 -1.034 . . . . 0.0 109.211 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -60.0 -41.19 91.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.784 -1.198 . . . . 0.0 108.72 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.33 -40.0 96.09 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.16 -0.962 . . . . 0.0 108.527 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.504 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 72.6 t90 -60.06 -49.91 75.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.399 -0.813 . . . . 0.0 109.443 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -62.49 -42.35 99.44 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.063 -1.023 . . . . 0.0 109.73 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.448 ' HG2' HH11 ' B' ' 91' ' ' ARG . 0.9 OUTLIER -60.93 -42.46 98.21 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.121 -0.987 . . . . 0.0 110.247 -179.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -59.96 -42.46 94.13 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.83 -1.169 . . . . 0.0 109.615 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.27 -41.7 90.66 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.384 -0.823 . . . . 0.0 108.941 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.01 -45.1 93.86 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.229 -0.919 . . . . 0.0 109.874 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -61.46 -42.32 98.58 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.722 -1.236 . . . . 0.0 109.642 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.28 -40.11 89.86 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.073 -1.017 . . . . 0.0 109.46 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.69 -40.06 94.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.045 -1.035 . . . . 0.0 109.846 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.39 -40.1 77.58 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.055 -1.028 . . . . 0.0 109.75 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.568 HD21 ' NH1' ' A' ' 23' ' ' ARG . 96.7 m-20 -67.16 -39.95 86.58 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.935 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.9 mt -66.32 -40.2 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.25 -0.906 . . . . 0.0 109.344 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 24.3 p -62.55 -41.42 98.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.242 -0.911 . . . . 0.0 109.77 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.61 96.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.219 -0.926 . . . . 0.0 109.778 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.79 -40.61 92.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.125 -0.984 . . . . 0.0 109.524 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.38 -40.97 96.86 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.095 -1.003 . . . . 0.0 108.998 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.16 -49.82 76.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.466 -0.771 . . . . 0.0 109.388 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.09 -41.23 99.35 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.086 -1.008 . . . . 0.0 108.952 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.9 79.73 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.341 -0.849 . . . . 0.0 109.722 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.09 -45.7 92.05 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.171 -0.955 . . . . 0.0 109.599 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.09 -49.28 84.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.219 -0.926 . . . . 0.0 109.13 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -67.94 -40.08 83.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.071 -1.018 . . . . 0.0 110.366 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -59.93 -44.88 94.08 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.283 -0.885 . . . . 0.0 109.937 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -66.01 -40.31 91.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.001 -1.062 . . . . 0.0 109.376 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -66.04 -40.27 90.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.108 -0.995 . . . . 0.0 109.536 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -62.48 -42.04 99.21 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.113 -0.992 . . . . 0.0 109.864 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 26.2 ttt -68.9 -39.94 79.45 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.129 -0.982 . . . . 0.0 108.689 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -60.34 -49.14 78.78 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.439 -0.788 . . . . 0.0 109.475 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.02 -40.12 88.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.245 -0.91 . . . . 0.0 109.103 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.01 -42.28 93.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.25 -0.906 . . . . 0.0 109.606 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.6 mt-30 -61.76 -40.07 93.84 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.096 -1.002 . . . . 0.0 109.845 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.18 -39.64 87.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.149 -0.969 . . . . 0.0 109.512 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.21 -49.2 77.88 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -121.35 59.91 0.95 Allowed 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.436 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.215 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.523 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 85.0 mt-30 -69.28 145.01 53.43 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.037 -1.039 . . . . 0.0 109.907 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 7.0 m -89.21 62.82 6.32 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.327 -0.858 . . . . 0.0 108.827 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.09 -40.07 94.61 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.617 -0.677 . . . . 0.0 109.315 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.412 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 12.8 t -60.23 -42.22 94.78 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.269 -0.894 . . . . 0.0 109.013 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.412 ' N ' ' CG2' ' C' ' 5' ' ' THR . 64.4 tp -61.71 -40.91 96.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.106 -0.996 . . . . 0.0 108.367 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.01 -39.22 93.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.594 -0.692 . . . . 0.0 109.291 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -41.68 92.25 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.51 -46.63 75.62 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 108.797 -1.721 . . . . 0.0 108.797 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.17 -50.04 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.383 -1.069 . . . . 0.0 109.409 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 69.6 t -60.17 -44.42 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.115 -0.99 . . . . 0.0 108.903 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.02 -40.13 92.42 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.651 -0.656 . . . . 0.0 109.329 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.18 -41.88 93.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.864 . . . . 0.0 109.341 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.28 -40.66 91.2 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.146 -0.971 . . . . 0.0 109.465 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.14 -43.63 95.57 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.15 -0.969 . . . . 0.0 108.52 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -61.61 -46.08 91.35 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.254 -0.903 . . . . 0.0 109.545 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.18 -43.77 95.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.305 -0.872 . . . . 0.0 109.202 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.05 -45.09 94.0 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.395 -0.816 . . . . 0.0 108.988 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -60.42 -47.22 87.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.918 . . . . 0.0 109.543 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 78.8 t -59.97 -40.34 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.057 -1.027 . . . . 0.0 109.766 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.17 -42.03 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 120.897 -1.127 . . . . 0.0 108.542 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -60.47 -40.17 90.28 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.515 ' NH1' HD21 ' A' ' 99' ' ' ASN . 31.0 mmt180 -60.27 -40.48 90.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.235 -0.916 . . . . 0.0 108.948 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.93 -40.13 92.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.217 -0.927 . . . . 0.0 109.575 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -59.91 -49.61 77.0 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.13 -0.981 . . . . 0.0 109.118 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.4 -44.47 95.66 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.323 -0.86 . . . . 0.0 109.314 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.6 tp -62.04 -40.97 97.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.38 -0.825 . . . . 0.0 109.448 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.01 -40.64 89.95 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.238 -0.913 . . . . 0.0 109.537 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 54.7 mtt-85 -60.97 -40.54 93.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.114 -0.991 . . . . 0.0 109.541 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.486 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 86.1 mt -61.77 -40.69 96.05 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.146 -0.972 . . . . 0.0 109.864 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.5 p -65.9 -40.03 91.13 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.14 -0.975 . . . . 0.0 109.493 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.55 -40.08 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.153 -0.967 . . . . 0.0 109.215 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -59.93 -44.15 94.52 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.361 -0.837 . . . . 0.0 109.923 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.29 -49.61 76.66 Favored Glycine 0 N--CA 1.485 1.923 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.1 -49.83 76.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.173 -1.192 . . . . 0.0 110.218 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -61.6 -40.22 94.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.976 -1.078 . . . . 0.0 110.057 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.469 HD22 HH21 ' C' ' 41' ' ' ARG . 41.0 t30 -60.38 -40.48 91.01 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.3 -0.875 . . . . 0.0 109.715 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.15 -40.2 92.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.346 -0.846 . . . . 0.0 109.368 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -60.3 -42.0 94.61 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.93 . . . . 0.0 109.585 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.414 ' O ' ' OG1' ' C' ' 43' ' ' THR . 68.1 p -60.14 -40.84 91.21 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.943 -1.098 . . . . 0.0 108.557 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.506 ' NH2' ' CG ' ' A' ' 82' ' ' ASN . 44.3 mtt-85 -67.47 -40.05 85.3 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.94 -41.58 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 119.751 -0.78 . . . . 0.0 108.986 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' C' ' 40' ' ' THR . 74.8 p -59.98 -40.85 90.53 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.118 -0.989 . . . . 0.0 109.277 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.93 96.3 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.079 -1.013 . . . . 0.0 108.466 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.4 mt -61.62 -36.63 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.622 -0.674 . . . . 0.0 109.766 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.25 -40.49 90.47 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 108.657 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -64.25 -42.75 96.36 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.034 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 59.0 m-85 -67.72 -39.81 84.28 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.168 -0.958 . . . . 0.0 110.31 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . 0.534 ' CD2' HE22 ' C' ' 52' ' ' GLN . 43.9 mt -60.04 -40.62 90.04 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.662 -1.274 . . . . 0.0 109.054 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -60.21 -39.98 88.53 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.703 -1.248 . . . . 0.0 109.035 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.26 -39.63 87.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.352 -0.842 . . . . 0.0 109.746 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.534 HE22 ' CD2' ' C' ' 49' ' ' LEU . 1.6 pt20 -59.8 -38.26 81.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.97 -1.081 . . . . 0.0 108.946 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.32 -39.21 82.37 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.04 -39.56 86.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.335 -0.853 . . . . 0.0 108.906 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -70.82 117.95 12.98 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.131 -0.98 . . . . 0.0 108.599 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -133.17 -62.56 0.79 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.279 -0.888 . . . . 0.0 110.528 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.4 ' HB1' ' H ' ' B' ' 58' ' ' TRP . . . -154.7 117.64 4.41 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.158 -0.964 . . . . 0.0 109.98 -178.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 63.6 m95 -101.25 123.68 45.74 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.342 -0.849 . . . . 0.0 110.874 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.407 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 68.92 23.31 75.93 Favored Glycine 0 N--CA 1.493 2.5 0 C-N-CA 120.079 -1.057 . . . . 0.0 110.661 178.159 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.73 24.22 0.22 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.763 -1.434 . . . . 0.0 110.04 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.407 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.74 110.48 2.42 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.836 -1.165 . . . . 0.0 110.442 179.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . 0.405 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 36.8 m-85 -117.04 11.78 14.35 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 121.335 -0.853 . . . . 0.0 109.338 177.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -137.8 24.05 2.85 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 177.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.447 ' NE2' ' CG ' ' B' ' 62' ' ' PHE . 18.0 mp0 -146.39 152.0 38.37 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 t -101.29 57.28 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.947 -1.095 . . . . 0.0 108.105 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.27 158.29 42.6 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.627 -0.671 . . . . 0.0 109.695 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -128.52 133.84 48.52 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 9.0 t -89.47 113.18 24.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.634 -1.291 . . . . 0.0 109.624 -178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.78 122.81 47.52 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.81 82.91 67.72 Favored Pre-proline 0 N--CA 1.496 1.825 0 O-C-N 121.362 -0.837 . . . . 0.0 109.481 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -87.52 61.49 3.71 Favored 'Trans proline' 0 C--N 1.314 -1.286 0 C-N-CA 122.845 2.363 . . . . 0.0 111.35 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -69.92 129.7 90.71 Favored Pre-proline 0 C--N 1.301 -1.528 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -41.11 147.98 0.26 Allowed 'Trans proline' 0 N--CA 1.488 1.181 0 C-N-CA 121.255 1.303 . . . . 0.0 110.92 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.57 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 10.6 t-20 -125.42 -53.33 1.59 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.259 -0.901 . . . . 0.0 109.274 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.63 125.14 34.2 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.047 -1.033 . . . . 0.0 108.216 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 40.7 t -82.02 107.2 14.54 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 28.4 mt -81.87 136.3 35.36 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.776 0.798 . . . . 0.0 110.222 -178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -93.73 113.09 59.47 Favored Pre-proline 0 C--N 1.299 -1.612 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -87.61 -48.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.138 0 C-N-CA 121.786 1.657 . . . . 0.0 114.41 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -120.7 -45.1 2.41 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.03 -1.044 . . . . 0.0 113.47 -177.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.586 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.1 p90 -59.74 -45.38 92.37 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.419 -1.426 . . . . 0.0 112.747 -175.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.586 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.4 t30 -74.95 -46.69 33.88 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.018 -1.677 . . . . 0.0 110.71 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -60.03 -50.44 73.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 110.845 -178.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.38 -44.71 95.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.877 -1.139 . . . . 0.0 109.256 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 46.6 p -68.77 -40.04 79.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.162 -0.962 . . . . 0.0 109.747 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -66.45 -39.85 89.11 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.873 -1.142 . . . . 0.0 109.386 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -60.07 -40.82 90.85 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.685 -1.259 . . . . 0.0 108.847 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.2 -40.0 96.25 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.123 -0.986 . . . . 0.0 108.721 178.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.486 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 72.8 t90 -60.03 -49.84 76.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.422 -0.798 . . . . 0.0 109.524 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -62.37 -42.62 99.55 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.246 -0.909 . . . . 0.0 109.511 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . 0.457 HH11 ' HG2' ' C' ' 91' ' ' ARG . 1.0 OUTLIER -61.25 -42.38 98.53 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.253 -0.904 . . . . 0.0 110.174 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.14 -42.83 95.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.653 -1.279 . . . . 0.0 109.445 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.76 -41.73 89.56 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.165 -0.959 . . . . 0.0 109.077 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.96 -45.5 92.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.13 -0.981 . . . . 0.0 109.988 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -61.02 -42.43 98.45 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.867 -1.146 . . . . 0.0 109.66 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.08 -40.2 90.66 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.194 -0.941 . . . . 0.0 109.421 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.81 -40.23 94.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.959 -1.088 . . . . 0.0 109.895 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.14 -39.95 78.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.929 . . . . 0.0 109.738 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . 0.48 HD21 ' NH1' ' B' ' 23' ' ' ARG . 96.8 m-20 -67.48 -40.04 85.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.05 -1.031 . . . . 0.0 109.831 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 89.6 mt -65.97 -40.03 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 120.986 -1.071 . . . . 0.0 109.413 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 24.2 p -62.84 -41.64 99.43 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.049 -1.032 . . . . 0.0 109.884 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.89 96.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.329 -0.857 . . . . 0.0 109.533 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.43 -40.45 93.31 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.085 -1.009 . . . . 0.0 109.626 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.35 -41.26 96.84 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.296 -0.878 . . . . 0.0 108.941 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.21 -49.71 76.56 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.326 -0.859 . . . . 0.0 109.507 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.84 -41.58 99.39 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.134 -0.979 . . . . 0.0 108.916 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.36 -48.7 80.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.43 -0.794 . . . . 0.0 109.833 179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.22 -45.6 92.65 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.256 -0.902 . . . . 0.0 109.617 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.6 mt -60.11 -49.51 83.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 121.419 -0.8 . . . . 0.0 109.242 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -67.9 -39.93 83.53 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.461 -0.775 . . . . 0.0 110.261 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -60.04 -44.97 94.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.175 -0.953 . . . . 0.0 109.973 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.92 -39.99 91.06 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.055 -1.028 . . . . 0.0 109.397 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -66.52 -39.97 88.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.334 -0.854 . . . . 0.0 109.856 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -62.63 -42.04 99.37 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.318 -0.864 . . . . 0.0 109.806 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 26.3 ttt -68.79 -40.4 79.64 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.017 -1.052 . . . . 0.0 108.599 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -60.06 -48.68 80.71 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.613 -0.68 . . . . 0.0 109.574 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.28 -40.0 88.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.487 -0.758 . . . . 0.0 109.42 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.09 -41.89 93.49 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.379 -0.826 . . . . 0.0 109.481 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.4 mt-30 -62.16 -40.51 96.25 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.941 -1.099 . . . . 0.0 109.766 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -60.09 -38.98 84.55 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.272 -0.893 . . . . 0.0 109.452 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 89.6 mt -58.61 -48.78 79.81 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -121.87 60.07 0.98 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.428 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.3 t . . . . . 0 N--CA 1.496 1.86 0 O-C-N 120.989 -1.069 . . . . 0.0 109.276 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.333 0.587 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.59 144.43 53.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.429 -0.795 . . . . 0.0 109.563 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -89.32 59.47 4.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.27 -0.894 . . . . 0.0 109.238 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -63.48 -39.96 95.84 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.434 -0.792 . . . . 0.0 109.132 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.431 ' CG2' ' N ' ' A' ' 6' ' ' LEU . 14.8 t -59.95 -43.83 94.76 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.364 -0.835 . . . . 0.0 109.595 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' N ' ' CG2' ' A' ' 5' ' ' THR . 61.8 tp -62.6 -42.37 99.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.979 -1.075 . . . . 0.0 108.592 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.3 mt -60.76 -39.95 90.68 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.508 -0.745 . . . . 0.0 110.255 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.06 -1.025 . . . . 0.0 108.564 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.87 -45.4 57.81 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.402 HG22 HD11 ' A' ' 10' ' ' ILE . 96.6 mt -60.02 -49.61 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.283 -1.128 . . . . 0.0 109.963 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.05 -42.5 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 120.846 -1.159 . . . . 0.0 108.494 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -61.06 -40.01 92.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.375 -0.828 . . . . 0.0 109.893 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -59.98 -41.87 92.97 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.259 -0.9 . . . . 0.0 109.386 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -61.91 -40.62 96.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.119 -0.988 . . . . 0.0 109.066 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.15 -43.79 95.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.34 -0.85 . . . . 0.0 109.173 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.9 -42.63 98.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.346 -0.846 . . . . 0.0 108.942 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.5 mt -64.28 -40.9 96.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.351 -0.843 . . . . 0.0 109.688 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.3 -41.74 97.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.176 -0.953 . . . . 0.0 108.676 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -60.04 -49.99 75.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.169 -0.957 . . . . 0.0 109.948 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.4 t -59.96 -41.18 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.172 -0.955 . . . . 0.0 109.948 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.02 -42.74 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.24 -0.913 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 86.5 tttt -61.76 -41.25 97.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.6 -0.687 . . . . 0.0 109.472 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 54.8 mtt-85 -61.42 -39.98 92.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.417 -0.802 . . . . 0.0 109.961 179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.97 -39.97 87.47 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.117 -0.989 . . . . 0.0 108.958 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -60.05 -49.7 76.61 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.063 -1.023 . . . . 0.0 109.718 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' A' ' 22' ' ' LYS . 2.7 mp0 -64.37 -41.46 96.71 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.682 -1.261 . . . . 0.0 109.315 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.47 -40.7 92.17 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.354 -0.841 . . . . 0.0 109.04 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -59.91 -40.37 88.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.453 -0.78 . . . . 0.0 109.271 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.22 -39.99 92.31 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.165 -0.959 . . . . 0.0 109.328 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.509 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 85.4 mt -62.46 -40.63 97.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.16 -0.963 . . . . 0.0 109.403 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.9 p -63.85 -39.93 95.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.985 -1.072 . . . . 0.0 109.328 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.26 -40.08 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.38 -0.825 . . . . 0.0 109.474 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -59.99 -47.2 86.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.382 -0.824 . . . . 0.0 110.512 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.49 -50.25 68.72 Favored Glycine 0 N--CA 1.487 2.044 0 C-N-CA 119.37 -1.395 . . . . 0.0 110.042 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.19 -50.02 75.31 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.954 -1.321 . . . . 0.0 109.913 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -61.16 -39.53 90.47 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.234 -0.916 . . . . 0.0 109.141 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.609 ' ND2' ' NH2' ' A' ' 41' ' ' ARG . 58.0 t-20 -59.82 -39.68 85.9 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -59.84 -39.9 86.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.005 -1.059 . . . . 0.0 108.816 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.01 -40.02 87.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.955 -1.091 . . . . 0.0 109.284 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.433 ' O ' ' OG1' ' A' ' 43' ' ' THR . 30.7 p -59.93 -40.1 87.76 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.715 -1.241 . . . . 0.0 108.828 179.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.622 HH12 ' ND2' ' B' ' 82' ' ' ASN . 23.3 mtt-85 -62.6 -40.18 96.13 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.581 179.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.5 t -60.03 -41.82 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.608 -0.683 . . . . 0.0 109.273 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 40' ' ' THR . 70.6 p -59.98 -40.12 88.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.019 -1.05 . . . . 0.0 109.665 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.69 -40.04 84.4 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.35 -1.469 . . . . 0.0 108.559 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.409 HG22 HD11 ' A' ' 45' ' ' ILE . 87.3 mt -64.52 -39.99 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.709 -0.619 . . . . 0.0 110.284 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -39.82 87.02 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 -179.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.14 -48.62 80.97 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.595 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 51.6 m-85 -61.43 -39.94 92.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.393 -0.817 . . . . 0.0 109.957 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.462 ' C ' HD21 ' A' ' 74' ' ' ASN . 53.9 mt -60.03 -39.27 85.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.934 -1.104 . . . . 0.0 108.734 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.09 -39.88 87.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.075 -1.016 . . . . 0.0 108.551 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.96 -39.89 87.18 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.07 -1.019 . . . . 0.0 109.32 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.511 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.9 OUTLIER -59.98 -39.58 86.2 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.952 -1.093 . . . . 0.0 109.182 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.27 -37.49 77.77 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.982 -1.074 . . . . 0.0 108.733 179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.98 -39.61 86.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.225 -0.922 . . . . 0.0 108.647 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 61.2 mt -73.57 112.56 9.77 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.012 -1.055 . . . . 0.0 109.079 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.573 HD21 ' H ' ' A' ' 70' ' ' VAL . 66.8 m-80 -134.0 -69.57 0.53 Allowed 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.465 -0.772 . . . . 0.0 109.428 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.61 88.04 1.47 Allowed 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.482 ' C ' ' H ' ' A' ' 60' ' ' ALA . 56.4 m95 -104.38 149.98 24.91 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.489 -0.757 . . . . 0.0 111.047 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.547 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 53.85 8.53 0.99 Allowed Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -72.73 22.94 0.06 Allowed 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.14 -1.212 . . . . 0.0 109.071 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.547 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.46 108.01 2.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.042 -1.036 . . . . 0.0 109.672 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -102.34 12.49 36.53 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.265 -0.897 . . . . 0.0 110.11 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.66 ' NE ' HH21 ' C' ' 63' ' ' ARG . 30.1 mmt180 -120.24 23.73 10.79 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 177.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.51 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -149.43 152.17 35.25 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.399 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.9 t -107.68 61.12 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.075 -1.016 . . . . 0.0 109.172 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.28 157.67 42.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.478 -0.764 . . . . 0.0 109.383 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -128.09 132.98 48.98 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.6 t -98.42 119.39 37.03 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.245 -0.909 . . . . 0.0 110.451 -178.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.9 121.24 43.34 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.573 ' H ' HD21 ' A' ' 56' ' ' ASN . 65.3 t -126.84 83.28 65.91 Favored Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 121.427 -0.796 . . . . 0.0 109.35 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -79.84 65.73 8.86 Favored 'Trans proline' 0 N--CA 1.489 1.216 0 C-N-CA 122.301 2.001 . . . . 0.0 111.555 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . . . . . . . . . 27.4 t90 -67.74 133.94 92.38 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -38.23 149.14 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.553 1.502 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.568 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 33.9 t-20 -127.61 -60.48 1.17 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.241 -0.912 . . . . 0.0 109.424 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.05 124.99 34.82 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.064 -1.023 . . . . 0.0 108.345 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.4 t -81.1 105.51 12.37 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.765 -1.209 . . . . 0.0 107.949 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.5 mt -82.18 136.57 35.1 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.477 0.656 . . . . 0.0 109.91 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.457 ' CG2' ' O ' ' A' ' 78' ' ' THR . 10.1 t -90.02 113.86 58.72 Favored Pre-proline 0 C--N 1.301 -1.512 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -90.27 -49.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 121.544 1.496 . . . . 0.0 114.487 -178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.412 ' NZ ' ' OE1' ' A' ' 84' ' ' GLU . 63.4 tttm -121.37 -44.7 2.36 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.235 -0.915 . . . . 0.0 113.206 -177.04 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.685 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.8 p90 -59.99 -53.67 55.09 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.449 -1.407 . . . . 0.0 112.407 -176.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.685 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 6.1 t-20 -79.06 -39.98 32.44 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.128 -1.608 . . . . 0.0 109.914 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.08 -47.32 86.39 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.253 -0.904 . . . . 0.0 109.108 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.412 ' OE1' ' NZ ' ' A' ' 80' ' ' LYS . 87.3 tt0 -60.21 -43.71 95.73 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.17 -0.956 . . . . 0.0 109.148 179.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 74.6 p -69.35 -40.02 77.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.182 -0.949 . . . . 0.0 109.645 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -61.91 -40.63 96.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.015 -1.053 . . . . 0.0 109.489 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.03 -41.11 91.51 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.917 -1.114 . . . . 0.0 108.039 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.79 -40.01 95.63 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.48 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 65.4 t90 -59.94 -50.02 75.41 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.198 -0.938 . . . . 0.0 109.3 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.49 -41.41 97.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.031 -1.043 . . . . 0.0 109.269 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -61.78 -42.02 98.46 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.407 -0.808 . . . . 0.0 110.337 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.02 -42.99 95.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.771 -1.206 . . . . 0.0 108.814 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.4 -40.66 88.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.343 -0.848 . . . . 0.0 109.19 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -60.0 -46.48 89.33 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.251 -0.906 . . . . 0.0 110.479 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -66.45 -40.02 89.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.806 -1.184 . . . . 0.0 109.681 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.32 -42.14 79.8 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.141 -0.974 . . . . 0.0 108.976 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.79 -45.47 94.27 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.272 -0.893 . . . . 0.0 109.369 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -64.36 -40.42 95.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.249 -0.907 . . . . 0.0 109.683 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.37 -41.19 96.83 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.1 -1.0 . . . . 0.0 109.444 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.45 -44.45 98.85 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.288 -0.882 . . . . 0.0 109.798 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.8 p -62.97 -40.16 96.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.148 -0.97 . . . . 0.0 109.464 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.7 80.61 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.205 -0.934 . . . . 0.0 109.787 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.51 -41.05 98.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.111 -0.993 . . . . 0.0 109.729 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.9 -43.43 98.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.179 -0.951 . . . . 0.0 109.448 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.25 -46.99 87.87 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.215 -0.928 . . . . 0.0 108.624 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -65.56 -39.94 92.27 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.382 -0.824 . . . . 0.0 108.915 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.57 93.99 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.324 -0.86 . . . . 0.0 109.53 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -62.29 -41.53 98.58 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.017 -1.052 . . . . 0.0 109.472 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -70.02 -40.35 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.067 -1.02 . . . . 0.0 109.283 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.422 ' OE1' ' OE1' ' C' ' 13' ' ' GLN . 32.1 tt0 -70.0 -39.99 75.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.911 . . . . 0.0 109.599 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.08 -49.28 78.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.147 -0.971 . . . . 0.0 109.076 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.23 -43.1 96.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.156 -0.965 . . . . 0.0 109.381 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -60.13 -42.01 93.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.167 -0.958 . . . . 0.0 109.441 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.25 -40.02 95.15 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.052 -1.03 . . . . 0.0 109.029 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.0 ttt -68.47 -40.0 81.17 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.239 -0.913 . . . . 0.0 108.833 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -60.01 -44.42 94.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.512 -0.742 . . . . 0.0 109.751 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.56 -40.23 93.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.123 -0.986 . . . . 0.0 109.127 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.51 -43.3 97.2 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.542 -0.724 . . . . 0.0 109.565 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.3 mt-30 -60.19 -40.13 88.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -0.918 . . . . 0.0 109.731 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -60.91 -40.03 91.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.31 -0.869 . . . . 0.0 109.411 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.9 mt -59.97 -48.34 82.1 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -119.41 56.81 0.92 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 117.923 -1.037 . . . . 0.0 108.889 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -69.64 144.61 52.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.513 -0.742 . . . . 0.0 109.402 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.9 p -89.49 59.42 4.77 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.288 -0.883 . . . . 0.0 109.227 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -63.47 -39.99 95.93 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.444 -0.785 . . . . 0.0 109.206 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.433 ' CG2' ' N ' ' B' ' 6' ' ' LEU . 14.9 t -60.0 -43.81 94.97 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.332 -0.855 . . . . 0.0 109.549 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' B' ' 5' ' ' THR . 62.2 tp -62.51 -42.56 99.59 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.117 -0.989 . . . . 0.0 108.595 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 31.1 mt -60.59 -40.04 90.31 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.433 -0.792 . . . . 0.0 110.305 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.95 87.34 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.039 -1.038 . . . . 0.0 108.493 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.0 -45.32 57.47 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.039 -1.625 . . . . 0.0 109.039 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.02 -49.52 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.361 -1.082 . . . . 0.0 110.014 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 60.1 t -59.92 -42.7 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.96 -1.087 . . . . 0.0 108.541 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -61.14 -39.94 91.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.37 -0.831 . . . . 0.0 109.826 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.428 ' OE1' ' OE1' ' C' ' 110' ' ' GLN . 34.7 tp60 -60.05 -42.0 93.51 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 109.347 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.85 -40.71 96.27 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.098 -1.001 . . . . 0.0 109.124 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.1 -43.99 95.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.38 -0.825 . . . . 0.0 109.083 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.8 -42.49 97.72 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.223 -0.923 . . . . 0.0 108.941 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.9 mt -64.56 -40.25 95.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.297 -0.877 . . . . 0.0 109.782 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.9 -41.11 97.52 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.089 -1.007 . . . . 0.0 108.723 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.4 -50.07 75.06 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.22 -0.925 . . . . 0.0 109.909 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.91 -41.07 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.222 -0.924 . . . . 0.0 109.872 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.0 -43.48 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.152 -0.968 . . . . 0.0 109.211 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . 0.43 ' O ' ' OE1' ' B' ' 26' ' ' GLU . 86.5 tttt -60.76 -41.31 95.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.577 -0.702 . . . . 0.0 109.701 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 55.3 mtt-85 -61.6 -39.93 93.0 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.408 -0.808 . . . . 0.0 109.983 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.05 -39.91 87.6 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.207 -0.933 . . . . 0.0 108.991 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -60.0 -50.02 75.38 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.17 -0.956 . . . . 0.0 109.577 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' B' ' 22' ' ' LYS . 2.6 mp0 -63.97 -41.83 97.42 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.764 -1.21 . . . . 0.0 109.342 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.9 tp -60.25 -40.46 90.37 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.353 -0.842 . . . . 0.0 109.106 179.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.4 mt -60.01 -40.53 89.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.374 -0.829 . . . . 0.0 109.4 179.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.91 -39.99 91.47 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.149 -0.969 . . . . 0.0 109.516 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.45 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 85.1 mt -62.4 -40.8 97.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.071 -1.018 . . . . 0.0 109.458 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 74.1 p -63.97 -39.96 95.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.952 -1.092 . . . . 0.0 109.317 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.09 -40.11 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -0.833 . . . . 0.0 109.459 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -59.93 -47.47 85.67 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.327 -0.858 . . . . 0.0 110.516 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.52 -49.98 71.49 Favored Glycine 0 N--CA 1.487 2.06 0 C-N-CA 119.364 -1.398 . . . . 0.0 110.036 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.23 -50.32 74.11 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.912 -1.346 . . . . 0.0 109.859 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -60.8 -39.53 89.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.317 -0.864 . . . . 0.0 109.234 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.613 ' ND2' ' NH2' ' B' ' 41' ' ' ARG . 58.4 t-20 -60.0 -39.41 85.7 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.96 -39.93 87.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.041 -1.037 . . . . 0.0 109.023 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.96 -39.93 87.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.129 -0.982 . . . . 0.0 109.287 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.428 ' O ' ' OG1' ' B' ' 43' ' ' THR . 30.9 p -60.03 -40.13 88.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.776 -1.202 . . . . 0.0 108.811 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.653 HH22 ' ND2' ' C' ' 82' ' ' ASN . 23.5 mtt-85 -62.53 -40.03 95.48 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.426 -0.91 . . . . 0.0 108.625 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 65.0 t -60.22 -41.79 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' B' ' 40' ' ' THR . 74.4 p -60.06 -40.04 88.06 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.035 -1.041 . . . . 0.0 109.56 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.87 -39.95 83.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.401 -1.437 . . . . 0.0 108.525 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.411 HD11 HG22 ' B' ' 45' ' ' ILE . 87.3 mt -64.63 -39.96 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.708 -0.62 . . . . 0.0 110.266 179.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -39.77 86.83 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.858 -1.152 . . . . 0.0 108.256 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.01 -48.49 81.47 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.255 -0.903 . . . . 0.0 108.791 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.582 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 52.3 m-85 -61.55 -39.96 92.99 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.314 -0.866 . . . . 0.0 109.845 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . 0.451 ' C ' HD21 ' B' ' 74' ' ' ASN . 52.9 mt -60.05 -39.28 85.42 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.012 -1.055 . . . . 0.0 108.862 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.04 -39.9 87.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.082 -1.011 . . . . 0.0 108.627 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.1 -39.82 87.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.056 -1.027 . . . . 0.0 109.232 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.501 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.9 OUTLIER -60.01 -39.69 86.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.97 -1.081 . . . . 0.0 109.139 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.24 -37.5 77.7 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.928 -1.107 . . . . 0.0 108.695 179.406 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.96 -39.78 86.77 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.198 -0.939 . . . . 0.0 108.617 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 60.9 mt -73.31 112.63 9.56 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.021 -1.049 . . . . 0.0 109.174 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.575 HD21 ' H ' ' B' ' 70' ' ' VAL . 67.5 m-80 -134.08 -69.64 0.53 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.369 -0.832 . . . . 0.0 109.314 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.71 88.3 1.47 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.493 ' C ' ' H ' ' B' ' 60' ' ' ALA . 56.2 m95 -104.56 150.06 24.96 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.503 -0.748 . . . . 0.0 110.945 -178.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.542 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 53.72 8.46 0.92 Allowed Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.493 ' H ' ' C ' ' B' ' 58' ' ' TRP . . . -72.37 23.16 0.05 Allowed 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.188 -1.183 . . . . 0.0 109.216 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.542 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.85 107.89 2.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.183 -0.948 . . . . 0.0 109.709 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -102.19 12.55 36.55 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.188 -0.945 . . . . 0.0 110.055 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.681 HH21 ' NE ' ' C' ' 63' ' ' ARG . 30.2 mmt180 -120.3 23.63 10.81 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.515 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.38 152.18 35.33 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.498 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.6 t -107.57 60.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.13 -0.981 . . . . 0.0 109.106 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.24 157.55 42.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.301 -0.874 . . . . 0.0 109.423 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -127.8 133.03 49.43 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 4.7 t -98.4 119.43 37.08 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.203 -0.935 . . . . 0.0 110.426 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.09 121.18 43.02 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.575 ' H ' HD21 ' B' ' 56' ' ' ASN . 67.7 t -126.88 83.09 66.48 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.492 -0.755 . . . . 0.0 109.367 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.73 65.59 8.87 Favored 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.438 2.092 . . . . 0.0 111.627 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.42 ' O ' ' C ' ' B' ' 73' ' ' PRO . 28.2 t90 -67.59 133.7 92.69 Favored Pre-proline 0 C--N 1.301 -1.507 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.42 ' C ' ' O ' ' B' ' 72' ' ' TRP . 71.3 Cg_exo -38.11 149.08 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.604 1.536 . . . . 0.0 111.124 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.595 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 33.6 t30 -127.5 -60.72 1.17 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.244 -0.91 . . . . 0.0 109.386 -178.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.9 125.23 34.85 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.025 -1.047 . . . . 0.0 108.297 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 9.8 t -81.21 105.6 12.53 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 118.665 -1.214 . . . . 0.0 107.931 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 58.7 mt -82.5 136.52 34.86 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.525 0.678 . . . . 0.0 109.854 -178.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.447 ' CG2' ' O ' ' B' ' 78' ' ' THR . 10.2 t -89.78 113.76 58.12 Favored Pre-proline 0 C--N 1.302 -1.496 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -90.28 -49.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.529 1.486 . . . . 0.0 114.626 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . 0.413 ' NZ ' ' OE1' ' B' ' 84' ' ' GLU . 63.6 tttm -121.4 -44.81 2.35 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.122 -0.986 . . . . 0.0 113.17 -177.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.678 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.7 p90 -59.94 -53.75 54.14 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.479 -1.388 . . . . 0.0 112.454 -176.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.678 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 6.1 t-20 -79.03 -39.84 32.95 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 119.99 -1.693 . . . . 0.0 109.899 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.0 -47.21 86.78 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.245 -0.909 . . . . 0.0 109.335 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . 0.413 ' OE1' ' NZ ' ' B' ' 80' ' ' LYS . 87.4 tt0 -60.36 -43.7 96.27 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.105 -0.997 . . . . 0.0 109.114 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 76.1 p -69.4 -40.0 77.6 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.217 -0.927 . . . . 0.0 109.628 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -62.02 -40.63 96.35 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.918 -1.114 . . . . 0.0 109.362 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.1 -40.98 91.53 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 118.894 -1.122 . . . . 0.0 108.19 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -63.76 -40.02 95.68 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.509 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 65.7 t90 -59.95 -50.04 75.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.172 -0.955 . . . . 0.0 109.196 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.75 -41.32 97.52 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.092 -1.005 . . . . 0.0 109.138 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -61.58 -42.27 98.61 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.411 -0.805 . . . . 0.0 110.281 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.96 -42.7 94.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.772 -1.205 . . . . 0.0 108.861 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.77 -40.5 88.86 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 121.301 -0.874 . . . . 0.0 109.206 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -59.96 -46.66 88.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.252 -0.905 . . . . 0.0 110.412 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -66.2 -40.26 90.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.908 -1.12 . . . . 0.0 109.587 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.96 -42.33 81.07 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.087 -1.008 . . . . 0.0 108.974 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.72 -45.91 92.43 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.219 -0.925 . . . . 0.0 109.3 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.85 -40.76 97.33 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.168 -0.957 . . . . 0.0 109.744 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.17 -41.12 97.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.084 -1.01 . . . . 0.0 109.466 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.49 -44.58 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.239 -0.913 . . . . 0.0 109.734 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 29.6 p -62.8 -40.49 97.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.043 -1.035 . . . . 0.0 109.462 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.95 -48.62 80.94 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.128 -0.983 . . . . 0.0 109.889 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.54 -41.14 98.47 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.019 -1.051 . . . . 0.0 109.649 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.85 -43.92 97.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.079 -1.013 . . . . 0.0 109.284 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.97 -46.55 89.07 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.009 -1.057 . . . . 0.0 108.75 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.66 -40.0 91.98 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.404 -0.81 . . . . 0.0 109.002 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.42 -44.69 93.85 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.36 -0.838 . . . . 0.0 109.51 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.22 -41.62 98.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.063 -1.023 . . . . 0.0 109.561 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . 0.42 HG22 HD11 ' B' ' 109' ' ' ILE . 97.2 mt -70.0 -40.53 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.025 -1.047 . . . . 0.0 109.235 179.759 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -69.67 -40.0 76.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.385 -0.822 . . . . 0.0 109.508 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -59.96 -49.76 76.42 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.129 -0.982 . . . . 0.0 109.085 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.91 -43.23 94.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.119 -0.988 . . . . 0.0 109.515 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -60.06 -41.59 92.71 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.248 -0.908 . . . . 0.0 109.528 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.7 -40.0 94.62 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.203 -0.936 . . . . 0.0 108.884 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 26.9 ttt -68.43 -39.97 81.35 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.32 -0.862 . . . . 0.0 108.768 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -60.06 -44.31 94.79 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.366 -0.834 . . . . 0.0 109.848 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.67 -40.22 94.2 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.074 -1.016 . . . . 0.0 109.074 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.54 -43.1 97.58 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.361 -0.837 . . . . 0.0 109.467 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.4 mt-30 -60.51 -40.07 90.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.236 -0.915 . . . . 0.0 109.723 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -60.65 -40.04 90.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.284 -0.885 . . . . 0.0 109.333 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.94 -48.49 81.5 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -119.41 56.91 0.91 Allowed 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.502 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.778 0 O-C-N 121.034 -1.041 . . . . 0.0 108.787 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -69.77 144.62 52.64 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.35 -0.844 . . . . 0.0 109.397 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 51.3 p -89.48 59.52 4.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.332 -0.855 . . . . 0.0 109.343 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -63.64 -39.99 95.75 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.418 -0.801 . . . . 0.0 109.113 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' THR . . . . . 0.426 ' CG2' ' N ' ' C' ' 6' ' ' LEU . 14.9 t -60.03 -43.47 95.28 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.379 -0.825 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . 0.426 ' N ' ' CG2' ' C' ' 5' ' ' THR . 61.6 tp -62.88 -41.99 99.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.064 -1.022 . . . . 0.0 108.676 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.6 mt -61.09 -39.96 91.9 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.481 -0.762 . . . . 0.0 110.163 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.1 87.79 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.96 -1.088 . . . . 0.0 108.622 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.58 -45.61 58.57 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.06 -49.39 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.36 -1.082 . . . . 0.0 109.952 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.0 -42.74 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.837 -1.164 . . . . 0.0 108.58 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -61.16 -39.9 91.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.482 -0.761 . . . . 0.0 109.908 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . 0.422 ' OE1' ' OE1' ' A' ' 110' ' ' GLN . 34.6 tp60 -60.0 -42.0 93.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.341 -0.849 . . . . 0.0 109.397 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.77 -40.89 96.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.099 -1.001 . . . . 0.0 109.193 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.09 -43.61 95.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.405 -0.809 . . . . 0.0 109.141 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.92 -42.33 97.89 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.189 -0.944 . . . . 0.0 109.043 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.84 -40.25 94.86 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.296 -0.878 . . . . 0.0 109.654 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.8 -41.7 98.08 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.908 -1.12 . . . . 0.0 108.61 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.05 -50.03 75.31 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.282 -0.886 . . . . 0.0 109.974 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 69.7 t -59.99 -41.03 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.187 -0.946 . . . . 0.0 109.785 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -43.61 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.296 -0.878 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . 0.428 ' O ' ' OE1' ' C' ' 26' ' ' GLU . 86.6 tttt -60.61 -41.81 95.54 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.533 -0.729 . . . . 0.0 109.608 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 55.5 mtt-85 -61.06 -40.03 92.12 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.324 -0.86 . . . . 0.0 109.921 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.95 -40.07 87.72 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.185 -0.947 . . . . 0.0 108.967 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -59.94 -50.06 75.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.121 -0.987 . . . . 0.0 109.713 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' C' ' 22' ' ' LYS . 2.8 mp0 -63.91 -41.5 97.66 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.744 -1.222 . . . . 0.0 109.439 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 31.0 tp -60.67 -40.14 91.01 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.365 -0.835 . . . . 0.0 109.048 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.25 -40.61 90.9 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.392 -0.818 . . . . 0.0 109.326 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.93 -39.94 91.35 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.28 -0.887 . . . . 0.0 109.431 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.48 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 84.9 mt -62.66 -40.45 97.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.269 -0.894 . . . . 0.0 109.507 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.0 p -64.01 -39.98 95.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.104 -0.997 . . . . 0.0 109.213 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.11 -40.1 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.334 -0.854 . . . . 0.0 109.414 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -59.99 -47.5 85.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.381 -0.824 . . . . 0.0 110.514 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.22 -50.38 66.92 Favored Glycine 0 N--CA 1.486 2.029 0 C-N-CA 119.369 -1.396 . . . . 0.0 110.082 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.17 -50.0 75.41 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.074 -1.25 . . . . 0.0 109.917 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -61.08 -39.61 90.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.365 -0.835 . . . . 0.0 109.061 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.605 HD22 HH22 ' C' ' 41' ' ' ARG . 58.0 t-20 -59.9 -39.69 86.23 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -59.89 -39.82 86.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.095 -1.003 . . . . 0.0 108.936 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.03 -39.95 87.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.0 109.159 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.43 ' O ' ' OG1' ' C' ' 43' ' ' THR . 31.0 p -59.94 -40.3 88.49 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.808 -1.182 . . . . 0.0 108.99 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.634 HH12 ' ND2' ' A' ' 82' ' ' ASN . 23.5 mtt-85 -62.35 -40.01 94.97 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.147 -0.971 . . . . 0.0 108.53 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 64.0 t -60.23 -41.59 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.654 -0.654 . . . . 0.0 109.337 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' C' ' 40' ' ' THR . 72.2 p -60.24 -39.91 88.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.068 -1.02 . . . . 0.0 109.654 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.95 -40.02 83.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.468 -1.395 . . . . 0.0 108.338 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.53 -39.95 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.684 -0.635 . . . . 0.0 110.332 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -39.78 87.18 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.964 -1.085 . . . . 0.0 108.217 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.96 -48.41 81.83 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.195 -0.94 . . . . 0.0 108.775 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.568 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 51.6 m-85 -61.71 -39.98 93.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.36 -0.837 . . . . 0.0 109.838 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . 0.461 ' C ' HD21 ' C' ' 74' ' ' ASN . 53.4 mt -60.01 -39.21 85.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.955 -1.09 . . . . 0.0 108.809 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.04 -39.96 87.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.102 -0.998 . . . . 0.0 108.522 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.05 -39.89 87.57 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.163 -0.96 . . . . 0.0 109.206 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.503 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.9 OUTLIER -60.03 -39.5 86.11 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.012 -1.055 . . . . 0.0 109.13 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.32 -37.4 77.69 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.833 -1.167 . . . . 0.0 108.736 179.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.98 -39.62 86.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.303 -0.873 . . . . 0.0 108.76 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 62.3 mt -73.51 112.68 9.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.032 -1.043 . . . . 0.0 108.989 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.566 HD21 ' H ' ' C' ' 70' ' ' VAL . 67.4 m-80 -134.18 -69.74 0.52 Allowed 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.259 -0.901 . . . . 0.0 109.18 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.58 88.14 1.47 Allowed 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . 0.476 ' C ' ' H ' ' C' ' 60' ' ' ALA . 57.4 m95 -104.24 149.82 24.96 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.472 -0.768 . . . . 0.0 111.019 -178.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.541 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 53.98 8.46 1.03 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 178.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' C' ' 58' ' ' TRP . . . -72.61 22.64 0.06 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.263 -1.14 . . . . 0.0 109.15 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.541 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.19 108.15 2.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.094 -1.004 . . . . 0.0 109.71 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -102.35 12.54 36.44 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.271 -0.893 . . . . 0.0 110.232 179.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.681 ' NE ' HH21 ' B' ' 63' ' ' ARG . 30.3 mmt180 -120.29 23.65 10.81 Favored 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 177.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.499 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -149.38 152.18 35.34 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.483 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 t -107.51 61.03 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.104 -0.997 . . . . 0.0 109.152 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.15 157.75 43.1 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.411 -0.805 . . . . 0.0 109.402 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -128.05 133.03 49.04 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 4.6 t -98.43 119.45 37.15 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.237 -0.914 . . . . 0.0 110.355 -178.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.13 121.06 42.62 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.566 ' H ' HD21 ' C' ' 56' ' ' ASN . 67.7 t -126.81 83.05 66.36 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.378 -0.826 . . . . 0.0 109.384 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.61 65.59 8.86 Favored 'Trans proline' 0 N--CA 1.489 1.262 0 C-N-CA 122.43 2.087 . . . . 0.0 111.655 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.429 ' O ' ' C ' ' C' ' 73' ' ' PRO . 27.3 t90 -67.59 133.8 92.69 Favored Pre-proline 0 C--N 1.301 -1.541 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.429 ' C ' ' O ' ' C' ' 72' ' ' TRP . 70.7 Cg_exo -38.15 149.27 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 121.462 1.441 . . . . 0.0 111.116 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.582 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 34.1 t30 -127.51 -60.83 1.16 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.274 -0.891 . . . . 0.0 109.476 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.89 125.29 34.87 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.0 t -81.39 105.58 12.68 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.016 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 58.5 mt -82.22 136.48 35.08 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.599 0.714 . . . . 0.0 109.864 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.449 ' O ' ' CG2' ' C' ' 78' ' ' THR . 10.2 t -89.98 114.11 59.61 Favored Pre-proline 0 C--N 1.301 -1.506 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.36 -49.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.106 0 C-N-CA 121.781 1.654 . . . . 0.0 114.642 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . 0.405 ' NZ ' ' OE1' ' C' ' 84' ' ' GLU . 63.4 tttm -121.66 -44.65 2.33 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.353 -0.842 . . . . 0.0 113.158 -176.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.685 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.7 p90 -59.91 -54.14 49.6 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.472 -1.392 . . . . 0.0 112.347 -176.123 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.685 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 6.1 t-20 -78.8 -39.94 34.36 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.022 -1.674 . . . . 0.0 109.939 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.04 -47.21 86.78 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.235 -0.916 . . . . 0.0 109.234 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . 0.405 ' OE1' ' NZ ' ' C' ' 80' ' ' LYS . 87.2 tt0 -60.5 -43.61 96.85 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.032 -1.043 . . . . 0.0 109.078 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 77.0 p -69.3 -40.07 77.9 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.148 -0.97 . . . . 0.0 109.59 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -61.99 -40.89 97.18 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.051 -1.031 . . . . 0.0 109.474 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.0 -40.94 90.91 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -63.64 -39.99 95.74 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.45 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 65.9 t90 -60.04 -50.01 75.41 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 0.0 109.288 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.71 -41.19 97.28 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.916 -1.115 . . . . 0.0 109.364 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -61.84 -41.94 98.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.581 -0.699 . . . . 0.0 110.283 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.06 -43.17 95.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.717 -1.239 . . . . 0.0 108.768 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.28 -40.51 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.389 -0.819 . . . . 0.0 109.27 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -60.02 -46.94 87.85 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.21 -0.931 . . . . 0.0 110.363 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -66.05 -40.18 90.74 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.852 -1.155 . . . . 0.0 109.674 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 92.0 mt -68.18 -42.24 80.27 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.349 -0.94 . . . . 0.0 108.906 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.79 -45.79 93.01 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.231 -0.918 . . . . 0.0 109.399 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.0 -40.67 96.88 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.225 -0.922 . . . . 0.0 109.702 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.94 -41.45 97.6 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.174 -0.953 . . . . 0.0 109.465 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.39 -44.38 98.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 121.323 -0.861 . . . . 0.0 109.804 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 27.2 p -63.11 -40.25 97.07 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.003 -1.06 . . . . 0.0 109.413 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.89 79.84 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.244 -0.91 . . . . 0.0 109.752 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.31 -41.23 98.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.051 -1.03 . . . . 0.0 109.693 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.82 -43.91 97.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.082 -1.011 . . . . 0.0 109.372 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.98 -46.82 88.21 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.04 -1.038 . . . . 0.0 108.676 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.59 -39.96 92.18 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.317 -0.865 . . . . 0.0 109.03 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.77 94.28 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.258 -0.901 . . . . 0.0 109.559 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.12 -41.62 98.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.996 -1.065 . . . . 0.0 109.624 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . 0.418 HD11 HG22 ' C' ' 109' ' ' ILE . 97.2 mt -70.02 -40.32 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.259 -0.901 . . . . 0.0 109.367 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . 0.428 ' OE1' ' OE1' ' B' ' 13' ' ' GLN . 32.3 tt0 -69.9 -39.98 75.9 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.364 -0.835 . . . . 0.0 109.558 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -60.14 -49.38 77.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -0.914 . . . . 0.0 109.066 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.18 -43.39 95.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.128 -0.983 . . . . 0.0 109.321 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -59.96 -41.69 92.46 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.228 -0.92 . . . . 0.0 109.474 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.51 -40.12 95.05 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.034 -1.041 . . . . 0.0 108.91 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.0 ttt -68.45 -39.97 81.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.301 -0.875 . . . . 0.0 108.737 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -59.98 -44.58 94.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.342 -0.849 . . . . 0.0 109.711 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.32 -40.2 93.35 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.087 -1.008 . . . . 0.0 109.17 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.67 -42.91 98.03 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.333 -0.855 . . . . 0.0 109.618 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.4 mt-30 -60.55 -40.69 92.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.873 . . . . 0.0 109.54 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -60.02 -40.02 87.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.25 -0.906 . . . . 0.0 109.695 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.98 -48.4 81.86 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -119.53 57.03 0.92 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.51 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 O-C-N 121.031 -1.043 . . . . 0.0 108.888 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.192 0.52 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 96.5 mt-30 -73.77 144.44 45.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.151 -0.968 . . . . 0.0 109.312 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -90.03 59.41 4.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.175 -0.953 . . . . 0.0 109.518 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -64.83 -39.91 94.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.331 -0.856 . . . . 0.0 109.31 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 t -60.06 -41.21 91.87 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.257 -0.902 . . . . 0.0 109.288 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.85 -42.68 98.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.194 -0.941 . . . . 0.0 108.598 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.12 -40.01 88.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.324 -0.86 . . . . 0.0 109.336 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.85 90.43 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.224 -0.922 . . . . 0.0 108.525 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.0 -48.59 69.32 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 108.781 -1.728 . . . . 0.0 108.781 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -48.74 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.446 -1.032 . . . . 0.0 109.879 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.98 -46.44 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.169 -0.957 . . . . 0.0 109.285 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.29 -39.89 88.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.139 -0.976 . . . . 0.0 109.532 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -60.02 -41.77 92.92 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.102 -0.999 . . . . 0.0 109.389 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -60.44 -40.09 89.84 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.936 -1.102 . . . . 0.0 109.153 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -60.0 -46.3 89.93 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.243 -0.911 . . . . 0.0 109.248 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.1 -44.24 94.99 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.095 -1.003 . . . . 0.0 109.427 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.55 -41.86 97.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.215 -0.928 . . . . 0.0 109.603 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.98 -46.0 90.88 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.302 -0.873 . . . . 0.0 109.126 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.93 -48.79 80.25 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.269 -0.895 . . . . 0.0 109.739 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 68.7 t -59.99 -41.71 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.081 -1.012 . . . . 0.0 109.087 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.99 -49.83 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.164 -0.96 . . . . 0.0 108.713 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.62 -40.38 94.61 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.259 -0.9 . . . . 0.0 108.782 178.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.548 ' NE ' ' OD1' ' B' ' 99' ' ' ASN . 34.4 ttm-85 -60.04 -40.0 87.84 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -59.94 -39.12 84.46 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.22 -0.925 . . . . 0.0 108.695 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.02 -47.38 86.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.088 -1.008 . . . . 0.0 109.182 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -62.02 -41.3 97.94 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.595 -1.315 . . . . 0.0 109.311 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.27 -41.03 92.43 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.158 -0.964 . . . . 0.0 109.192 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.96 -39.94 87.33 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.519 -0.738 . . . . 0.0 109.208 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.438 ' HG2' HH11 ' A' ' 29' ' ' ARG . 39.2 mtt-85 -60.1 -40.03 88.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.022 -1.049 . . . . 0.0 108.909 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.411 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 91.8 mt -60.72 -41.85 96.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.047 -1.033 . . . . 0.0 109.523 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.0 p -62.82 -39.92 95.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.919 -1.113 . . . . 0.0 109.268 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.23 -40.06 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -60.04 -42.85 95.33 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.37 -0.831 . . . . 0.0 110.47 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -47.58 90.34 Favored Glycine 0 N--CA 1.487 2.04 0 C-N-CA 119.545 -1.312 . . . . 0.0 109.845 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.3 m -60.07 -50.0 75.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.108 -1.231 . . . . 0.0 109.885 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.519 ' CB ' ' HZ1' ' A' ' 36' ' ' LYS . 8.2 mtmp? -60.54 -40.0 89.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.05 -1.031 . . . . 0.0 110.103 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.753 HD22 HH21 ' A' ' 41' ' ' ARG . 41.0 t30 -60.01 -40.21 88.47 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.106 -0.996 . . . . 0.0 109.577 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.0 mt -61.29 -40.14 93.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.877 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.99 -41.87 92.99 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.061 -1.024 . . . . 0.0 109.551 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.449 ' O ' ' OG1' ' A' ' 43' ' ' THR . 62.2 p -60.61 -40.09 90.56 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.062 -1.024 . . . . 0.0 108.92 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.753 HH21 HD22 ' A' ' 37' ' ' ASN . 26.5 mtt-85 -69.12 -40.01 78.57 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.0 t -59.96 -41.0 84.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.414 -0.804 . . . . 0.0 109.042 179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.449 ' OG1' ' O ' ' A' ' 40' ' ' THR . 44.1 p -59.95 -40.05 87.66 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.053 -1.029 . . . . 0.0 109.396 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.29 -43.1 96.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.114 -0.991 . . . . 0.0 108.79 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.89 -37.86 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.555 -0.716 . . . . 0.0 109.422 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.87 -40.16 87.7 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.08 -1.013 . . . . 0.0 108.461 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.67 -46.32 90.78 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.445 -0.784 . . . . 0.0 109.164 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 38.1 m-85 -59.97 -40.04 87.69 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.493 -0.754 . . . . 0.0 110.065 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.04 -39.81 87.21 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.99 -1.069 . . . . 0.0 108.999 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -59.91 -39.9 87.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.982 -1.074 . . . . 0.0 108.688 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.0 -38.63 83.19 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.605 ' NE2' HD22 ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.9 -40.01 87.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 108.912 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.02 78.65 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.861 -1.149 . . . . 0.0 108.353 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.451 -0.78 . . . . 0.0 109.578 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.0 mt -70.66 117.52 12.29 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.122 -0.986 . . . . 0.0 108.767 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.457 ' OD1' ' N ' ' A' ' 70' ' ' VAL . 24.7 m120 -133.13 -60.61 0.85 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.311 -0.868 . . . . 0.0 110.768 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.403 ' HB1' ' H ' ' C' ' 58' ' ' TRP . . . -153.52 116.14 4.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.105 -0.997 . . . . 0.0 110.382 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.403 ' H ' ' HB1' ' B' ' 57' ' ' ALA . 92.1 m95 -101.62 124.35 47.12 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.523 -0.736 . . . . 0.0 110.351 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.16 24.22 73.29 Favored Glycine 0 N--CA 1.492 2.414 0 C-N-CA 120.072 -1.061 . . . . 0.0 110.949 178.498 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.36 22.7 0.16 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.715 -1.462 . . . . 0.0 109.447 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.467 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.57 112.0 1.89 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.178 -0.952 . . . . 0.0 109.75 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -108.64 12.95 25.52 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.343 -0.848 . . . . 0.0 109.932 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.471 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 69.3 mtm180 -135.74 24.35 3.38 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.221 -0.925 . . . . 0.0 108.631 177.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.544 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -148.26 151.88 36.19 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.348 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -102.85 59.06 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.124 -0.985 . . . . 0.0 108.413 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.54 157.37 42.93 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.423 -0.798 . . . . 0.0 109.528 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -129.47 134.0 47.58 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.1 t -88.69 115.01 25.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.723 -1.236 . . . . 0.0 109.37 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 8.8 t -110.9 120.61 42.95 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.457 ' N ' ' OD1' ' A' ' 56' ' ' ASN . 89.4 t -122.93 83.35 50.25 Favored Pre-proline 0 N--CA 1.495 1.779 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -86.39 61.71 4.71 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.786 2.324 . . . . 0.0 111.642 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' A' ' 73' ' ' PRO . 27.3 t90 -70.05 130.76 89.48 Favored Pre-proline 0 N--CA 1.488 1.464 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' TRP . 91.4 Cg_exo -40.61 148.5 0.19 Allowed 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 121.32 1.347 . . . . 0.0 110.765 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.611 HD22 ' NE2' ' C' ' 52' ' ' GLN . 1.9 t-20 -131.21 -38.65 1.2 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.205 -0.934 . . . . 0.0 109.225 -178.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.32 124.88 39.58 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.3 t -83.94 105.31 14.72 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.8 mt -83.2 134.75 34.95 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.651 0.738 . . . . 0.0 109.963 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.401 ' OG1' ' CB ' ' A' ' 82' ' ' ASN . 6.5 t -94.84 113.03 60.29 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.592 -0.692 . . . . 0.0 109.625 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -89.29 -48.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.219 0 C-N-CA 121.712 1.608 . . . . 0.0 113.584 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -122.29 -44.01 2.28 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.645 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.0 p90 -59.47 -49.88 76.09 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.411 -1.431 . . . . 0.0 112.911 -175.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.645 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 45.4 t30 -71.78 -42.72 66.79 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 119.867 -1.771 . . . . 0.0 109.943 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -60.03 -49.93 75.72 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.204 -0.935 . . . . 0.0 110.547 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.58 -43.12 99.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.81 -1.181 . . . . 0.0 109.936 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.475 ' HG1' ' N ' ' A' ' 86' ' ' TRP . 76.8 p -69.71 -40.05 76.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 109.277 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.475 ' N ' ' HG1' ' A' ' 85' ' ' THR . 46.3 t-105 -68.0 -38.84 83.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.155 -0.966 . . . . 0.0 108.979 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -60.04 -39.98 87.81 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.237 -0.914 . . . . 0.0 108.694 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.77 -40.05 96.09 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.887 -1.133 . . . . 0.0 109.123 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.423 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 62.4 t90 -60.0 -49.97 75.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.203 -0.936 . . . . 0.0 111.045 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -67.23 -39.83 86.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.505 -1.372 . . . . 0.0 109.201 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.01 -41.19 91.59 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.233 -0.917 . . . . 0.0 110.059 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -60.06 -44.84 94.44 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.703 -1.248 . . . . 0.0 108.322 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.52 -40.1 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.29 -0.881 . . . . 0.0 109.071 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.03 -42.74 95.04 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.419 -0.8 . . . . 0.0 110.394 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -69.7 -40.0 76.57 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.858 -1.151 . . . . 0.0 109.095 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 68.6 mt -67.0 -40.03 87.23 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.186 -0.946 . . . . 0.0 108.877 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.42 ' OE2' ' NH2' ' A' ' 29' ' ' ARG . 88.9 tt0 -59.97 -46.54 89.1 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.343 -0.848 . . . . 0.0 109.49 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.04 -44.49 94.62 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.114 -0.991 . . . . 0.0 109.314 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.542 ' OD1' ' NE ' ' C' ' 23' ' ' ARG . 14.5 t-20 -62.26 -42.28 99.19 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.196 -0.94 . . . . 0.0 109.62 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.406 HD11 HG22 ' A' ' 100' ' ' ILE . 92.1 mt -60.08 -46.68 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.026 -1.046 . . . . 0.0 109.034 179.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.8 p -61.36 -39.96 92.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.165 -0.959 . . . . 0.0 109.621 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.02 -46.57 89.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.156 -0.965 . . . . 0.0 109.579 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.2 mt -67.44 -39.97 85.41 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.983 -1.073 . . . . 0.0 108.903 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.55 -43.47 93.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.139 -0.976 . . . . 0.0 109.32 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.2 -43.49 95.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.243 -0.911 . . . . 0.0 109.269 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -68.77 -39.99 79.96 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.188 -0.945 . . . . 0.0 108.78 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.15 -44.45 97.31 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.422 -0.799 . . . . 0.0 109.599 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -60.03 -48.83 80.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.074 -1.016 . . . . 0.0 109.042 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.01 -50.04 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.311 -0.868 . . . . 0.0 109.447 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -64.68 -40.93 96.25 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.046 -1.034 . . . . 0.0 109.7 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -60.01 -49.4 77.83 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.196 -0.94 . . . . 0.0 109.838 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -62.72 -41.99 99.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.194 -0.942 . . . . 0.0 110.034 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -63.13 -39.99 96.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.066 -1.021 . . . . 0.0 109.894 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -63.76 -42.34 97.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.986 -1.071 . . . . 0.0 109.479 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 26.9 ttt -69.79 -40.06 76.21 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.102 -0.998 . . . . 0.0 108.684 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -60.04 -49.78 76.33 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.543 -0.723 . . . . 0.0 109.217 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.303 -0.873 . . . . 0.0 109.382 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.0 -41.51 92.27 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.243 -0.911 . . . . 0.0 109.273 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.6 mt-30 -60.78 -40.01 91.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.185 -0.947 . . . . 0.0 109.691 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -59.98 -39.16 84.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.15 -0.969 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.97 -46.82 88.2 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -126.44 61.55 1.3 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.618 -0.676 . . . . 0.0 109.435 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.494 1.772 0 O-C-N 121.064 -1.022 . . . . 0.0 109.22 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . 0.41 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.196 0.522 . . . . 0.0 109.629 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -73.89 144.35 45.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.207 -0.933 . . . . 0.0 109.382 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -90.0 59.35 4.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.167 -0.958 . . . . 0.0 109.408 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -64.62 -40.07 94.82 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.399 -0.813 . . . . 0.0 109.395 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 9.2 t -59.96 -40.95 90.81 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.23 -0.919 . . . . 0.0 109.437 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 61.3 tp -61.22 -42.43 98.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 108.7 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.08 -40.07 88.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.409 -0.807 . . . . 0.0 109.235 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.78 89.94 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.145 -0.972 . . . . 0.0 108.597 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.2 -48.58 68.53 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 178.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.07 -48.6 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.4 -1.059 . . . . 0.0 109.887 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.99 -46.42 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.175 -0.953 . . . . 0.0 109.392 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.26 -39.96 88.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.109 -0.995 . . . . 0.0 109.578 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -60.02 -41.72 92.77 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.07 -1.019 . . . . 0.0 109.314 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.57 -40.01 90.1 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.947 -1.096 . . . . 0.0 109.085 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.98 -46.34 89.76 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.263 -0.898 . . . . 0.0 109.178 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.06 -44.33 94.8 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.181 -0.949 . . . . 0.0 109.405 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.55 -41.84 97.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.257 -0.902 . . . . 0.0 109.567 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.05 -45.81 91.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.286 -0.884 . . . . 0.0 109.038 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -60.0 -48.85 80.02 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -0.936 . . . . 0.0 109.733 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 68.7 t -59.99 -41.66 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.04 -1.038 . . . . 0.0 109.048 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.94 -49.71 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.128 -0.982 . . . . 0.0 108.824 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -61.83 -40.34 94.94 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.248 -0.907 . . . . 0.0 108.714 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.531 ' NE ' ' OD1' ' C' ' 99' ' ' ASN . 34.1 ttm-85 -60.01 -40.01 87.77 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.697 -0.627 . . . . 0.0 109.311 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.05 -38.93 84.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.12 -0.987 . . . . 0.0 108.722 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.03 -47.27 86.55 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.022 -1.049 . . . . 0.0 109.252 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -62.28 -41.02 98.14 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.702 -1.249 . . . . 0.0 109.254 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.7 tp -60.57 -40.93 93.5 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.291 -0.88 . . . . 0.0 109.143 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.08 -39.94 87.81 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.565 -0.71 . . . . 0.0 109.177 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.44 ' HG2' HH11 ' B' ' 29' ' ' ARG . 39.4 mtt-85 -60.05 -40.34 89.08 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.125 -0.984 . . . . 0.0 108.847 -179.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.438 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 93.7 mt -60.33 -41.66 94.0 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.039 -1.038 . . . . 0.0 109.52 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 77.8 p -63.06 -40.17 96.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.904 -1.123 . . . . 0.0 109.139 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.84 -40.0 83.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.546 -0.721 . . . . 0.0 109.123 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -60.08 -43.22 95.63 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.313 -0.867 . . . . 0.0 110.356 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.4 -47.86 88.82 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.881 -1.288 . . . . 0.0 109.881 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 87.2 m -60.0 -50.03 75.36 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.065 -1.256 . . . . 0.0 109.916 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . 0.523 ' HZ1' ' CB ' ' B' ' 36' ' ' LYS . 8.3 mtmp? -60.52 -40.07 90.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.073 -1.017 . . . . 0.0 110.037 -179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.721 HD22 HH21 ' B' ' 41' ' ' ARG . 41.4 t30 -59.95 -40.48 89.17 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.12 -0.988 . . . . 0.0 109.483 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -61.02 -40.21 92.72 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.088 -1.007 . . . . 0.0 109.846 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.99 -42.01 93.3 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.107 -0.995 . . . . 0.0 109.59 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' B' ' 43' ' ' THR . 62.3 p -60.58 -40.08 90.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.098 -1.001 . . . . 0.0 108.949 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.721 HH21 HD22 ' B' ' 37' ' ' ASN . 27.2 mtt-85 -69.14 -40.0 78.5 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.0 -40.97 84.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.349 -0.845 . . . . 0.0 108.977 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 40' ' ' THR . 43.1 p -60.06 -40.07 88.18 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.063 -1.023 . . . . 0.0 109.218 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.07 96.13 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.138 -0.976 . . . . 0.0 109.015 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . 0.405 HG22 HD11 ' B' ' 45' ' ' ILE . 81.8 mt -60.88 -37.81 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.567 -0.708 . . . . 0.0 109.3 179.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.02 -40.09 88.12 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.077 -1.014 . . . . 0.0 108.374 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.75 -46.27 91.08 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.347 -0.846 . . . . 0.0 109.018 178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.527 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 37.9 m-85 -59.95 -40.04 87.64 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.439 -0.788 . . . . 0.0 110.029 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.02 -39.66 86.62 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.986 -1.071 . . . . 0.0 109.112 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -60.06 -39.9 87.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.921 -1.112 . . . . 0.0 108.723 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.95 -38.75 83.33 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.585 ' NE2' HD22 ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.87 -40.06 87.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.295 -0.878 . . . . 0.0 108.94 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.21 78.73 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.857 -1.152 . . . . 0.0 108.239 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -59.96 -40.06 87.73 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.415 -0.803 . . . . 0.0 109.61 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 77.4 mt -70.46 117.85 12.52 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.054 -1.029 . . . . 0.0 108.743 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' B' ' 70' ' ' VAL . 24.9 m120 -133.49 -60.34 0.84 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.439 -0.788 . . . . 0.0 110.775 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . 0.403 ' HB1' ' H ' ' A' ' 58' ' ' TRP . . . -153.71 115.88 4.33 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.131 -0.981 . . . . 0.0 110.3 -178.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.4 ' H ' ' HB1' ' C' ' 57' ' ' ALA . 92.3 m95 -101.6 124.27 46.98 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.516 -0.74 . . . . 0.0 110.367 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.475 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.12 24.42 73.28 Favored Glycine 0 N--CA 1.493 2.471 0 C-N-CA 120.14 -1.029 . . . . 0.0 110.886 178.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.59 22.91 0.17 Allowed 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.787 -1.419 . . . . 0.0 109.399 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.54 112.02 1.9 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.21 -0.931 . . . . 0.0 109.684 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -108.61 12.52 25.87 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.258 -0.901 . . . . 0.0 109.957 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.478 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 69.0 mtm180 -135.6 24.37 3.42 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.272 -0.893 . . . . 0.0 108.727 178.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.546 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -148.15 151.95 36.46 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.266 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.4 t -103.02 59.27 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.64 157.62 43.19 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.548 -0.72 . . . . 0.0 109.475 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -129.77 133.84 47.23 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 6.1 t -88.57 115.06 25.82 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.783 -1.198 . . . . 0.0 109.405 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 8.8 t -110.88 120.77 43.5 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.465 ' N ' ' OD1' ' B' ' 56' ' ' ASN . 90.3 t -123.05 83.42 50.91 Favored Pre-proline 0 N--CA 1.496 1.834 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -86.38 61.71 4.72 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.862 2.375 . . . . 0.0 111.606 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.405 ' O ' ' C ' ' B' ' 73' ' ' PRO . 26.7 t90 -70.07 130.93 89.27 Favored Pre-proline 0 N--CA 1.489 1.488 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.405 ' C ' ' O ' ' B' ' 72' ' ' TRP . 93.3 Cg_exo -40.61 148.27 0.21 Allowed 'Trans proline' 0 N--CA 1.488 1.177 0 C-N-CA 121.272 1.315 . . . . 0.0 110.805 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.605 HD22 ' NE2' ' A' ' 52' ' ' GLN . 1.9 t-20 -130.9 -38.86 1.24 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.238 -0.913 . . . . 0.0 109.212 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.12 124.81 39.36 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 7.5 t -83.71 105.35 14.55 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.1 mt -83.23 134.89 34.93 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.609 0.719 . . . . 0.0 109.93 -178.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' THR . . . . . . . . . . . . . 6.2 t -94.86 113.11 60.47 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.578 -0.701 . . . . 0.0 109.569 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -89.37 -48.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.171 0 C-N-CA 121.669 1.58 . . . . 0.0 113.619 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -122.44 -43.43 2.29 Favored 'General case' 0 N--CA 1.506 2.346 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.651 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.1 p90 -60.01 -49.9 75.84 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.446 -1.409 . . . . 0.0 112.871 -175.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.651 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 45.8 t30 -72.0 -42.31 66.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 119.949 -1.719 . . . . 0.0 109.802 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -60.44 -50.09 74.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.328 -0.858 . . . . 0.0 110.41 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.39 -43.01 99.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.93 -1.106 . . . . 0.0 109.762 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' THR . . . . . 0.479 ' HG1' ' N ' ' B' ' 86' ' ' TRP . 77.1 p -70.01 -39.96 75.53 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.205 -0.935 . . . . 0.0 109.278 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . 0.479 ' N ' ' HG1' ' B' ' 85' ' ' THR . 46.6 t-105 -68.05 -38.78 82.86 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.236 -0.915 . . . . 0.0 108.951 179.712 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -60.06 -39.99 87.93 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.259 -0.901 . . . . 0.0 108.806 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.56 -40.12 95.83 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.816 -1.177 . . . . 0.0 109.136 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.411 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 62.0 t90 -59.98 -50.0 75.47 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.215 -0.928 . . . . 0.0 111.026 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -67.38 -39.8 85.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.686 -1.259 . . . . 0.0 109.037 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.0 -41.43 92.06 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.176 -0.952 . . . . 0.0 110.131 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -59.91 -44.66 94.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.569 -1.332 . . . . 0.0 108.455 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.63 -40.15 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.397 -0.815 . . . . 0.0 108.98 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 56.5 t0 -60.06 -43.0 95.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.297 -0.877 . . . . 0.0 110.182 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -69.37 -40.03 77.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.928 -1.107 . . . . 0.0 109.054 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 68.6 mt -67.16 -40.05 86.57 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.247 -0.908 . . . . 0.0 108.875 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . 0.412 ' OE2' ' NH2' ' B' ' 29' ' ' ARG . 89.0 tt0 -59.92 -46.37 89.57 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.285 -0.885 . . . . 0.0 109.483 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.02 -44.77 94.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.12 -0.987 . . . . 0.0 109.269 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.548 ' OD1' ' NE ' ' A' ' 23' ' ' ARG . 14.4 t-20 -61.99 -42.3 98.99 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.249 -0.907 . . . . 0.0 109.61 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.408 HD11 HG22 ' B' ' 100' ' ' ILE . 93.2 mt -60.02 -46.24 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.148 -0.97 . . . . 0.0 109.197 179.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 68.3 p -62.05 -40.03 94.39 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.222 -0.924 . . . . 0.0 109.489 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.95 -46.44 89.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.197 -0.939 . . . . 0.0 109.575 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -67.36 -39.96 85.75 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.063 -1.023 . . . . 0.0 109.034 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.69 -43.48 93.37 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.954 . . . . 0.0 109.219 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.14 -43.49 95.69 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.105 -0.997 . . . . 0.0 109.327 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.77 -39.95 79.97 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.275 -0.891 . . . . 0.0 108.85 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.49 97.2 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.444 -0.785 . . . . 0.0 109.598 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -59.94 -48.68 80.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.036 -1.04 . . . . 0.0 109.004 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 91.6 mt -59.99 -50.03 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.254 -0.904 . . . . 0.0 109.534 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -64.94 -40.89 95.71 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.019 -1.051 . . . . 0.0 109.665 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -60.01 -49.46 77.59 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.228 -0.92 . . . . 0.0 109.912 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -62.53 -41.94 99.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.891 . . . . 0.0 110.107 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -63.31 -39.97 96.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.164 -0.96 . . . . 0.0 109.957 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -63.61 -42.52 98.22 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.068 -1.02 . . . . 0.0 109.532 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 26.8 ttt -69.64 -40.11 76.72 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.139 -0.976 . . . . 0.0 108.642 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -60.0 -49.79 76.27 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.591 -0.693 . . . . 0.0 109.227 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -40.03 88.09 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.317 -0.864 . . . . 0.0 109.545 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.94 -41.49 91.93 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.328 -0.858 . . . . 0.0 109.265 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.6 mt-30 -60.69 -40.08 90.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.13 -0.981 . . . . 0.0 109.718 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -60.02 -39.17 84.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.168 -0.958 . . . . 0.0 109.246 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.9 -46.86 88.0 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -126.23 61.32 1.29 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.573 -0.704 . . . . 0.0 109.456 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.545 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.823 0 O-C-N 121.009 -1.057 . . . . 0.0 109.101 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . 0.414 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 96.3 mt-30 -73.93 144.31 45.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.243 -0.91 . . . . 0.0 109.374 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -89.87 59.33 4.55 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.173 -0.955 . . . . 0.0 109.427 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -64.57 -40.07 94.89 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.348 -0.845 . . . . 0.0 109.344 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.8 t -59.98 -41.26 91.62 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.174 -0.954 . . . . 0.0 109.336 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.75 -42.68 97.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.148 -0.97 . . . . 0.0 108.762 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 20.8 mt -60.22 -39.88 88.19 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.45 -0.781 . . . . 0.0 109.27 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.75 90.39 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.187 -0.946 . . . . 0.0 108.523 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.08 -48.61 68.7 Favored Glycine 0 N--CA 1.487 2.071 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.06 -48.68 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.387 -1.067 . . . . 0.0 109.871 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.96 -46.33 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.109 -0.994 . . . . 0.0 109.399 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -60.36 -39.9 88.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.145 -0.972 . . . . 0.0 109.516 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -60.1 -41.89 93.49 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.098 -1.001 . . . . 0.0 109.358 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -60.38 -40.0 89.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.945 -1.097 . . . . 0.0 109.126 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.05 -46.36 89.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.262 -0.899 . . . . 0.0 109.136 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -59.99 -44.52 94.46 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.111 -0.993 . . . . 0.0 109.298 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.36 -42.11 98.16 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.0 109.571 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.92 -45.73 91.66 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.303 -0.873 . . . . 0.0 109.167 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -59.94 -49.02 79.33 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.21 -0.931 . . . . 0.0 109.745 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.94 -41.58 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.156 -0.965 . . . . 0.0 108.941 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.0 -49.88 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.084 -1.01 . . . . 0.0 108.718 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.69 -40.25 94.34 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.231 -0.918 . . . . 0.0 108.793 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.542 ' NE ' ' OD1' ' A' ' 99' ' ' ASN . 34.4 ttm-85 -60.03 -40.01 87.86 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.632 -0.667 . . . . 0.0 109.33 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -59.99 -39.14 84.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.105 -0.997 . . . . 0.0 108.698 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -59.94 -47.23 86.64 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.981 -1.075 . . . . 0.0 109.204 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -62.31 -41.02 98.18 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.576 -1.327 . . . . 0.0 109.216 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.74 -40.58 92.95 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.331 -0.855 . . . . 0.0 109.235 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.0 -40.02 87.76 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.452 -0.78 . . . . 0.0 109.239 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . 0.44 ' HG2' HH11 ' C' ' 29' ' ' ARG . 39.4 mtt-85 -60.01 -40.47 89.38 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.995 -1.065 . . . . 0.0 108.865 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.423 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 93.1 mt -60.24 -41.95 94.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.035 -1.041 . . . . 0.0 109.553 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.5 p -62.89 -40.13 96.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.893 -1.129 . . . . 0.0 109.184 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.91 -40.05 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.425 -0.797 . . . . 0.0 109.082 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -59.98 -43.08 95.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.37 -0.831 . . . . 0.0 110.379 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.71 -47.73 89.5 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 85.1 m -60.02 -50.01 75.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.117 -1.225 . . . . 0.0 109.929 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . 0.527 ' CB ' ' HZ1' ' C' ' 36' ' ' LYS . 8.2 mtmp? -60.59 -39.97 90.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.073 -1.017 . . . . 0.0 110.088 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.755 HD22 HH21 ' C' ' 41' ' ' ARG . 40.8 t30 -60.07 -40.36 89.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.162 -0.961 . . . . 0.0 109.526 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -61.0 -40.3 92.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.173 -0.954 . . . . 0.0 109.92 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.94 -42.09 93.25 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.177 -0.952 . . . . 0.0 109.572 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.441 ' O ' ' OG1' ' C' ' 43' ' ' THR . 62.3 p -60.5 -40.0 89.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.01 -1.056 . . . . 0.0 108.906 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.755 HH21 HD22 ' C' ' 37' ' ' ASN . 26.1 mtt-85 -69.3 -39.94 78.0 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.184 -0.948 . . . . 0.0 108.553 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.05 -41.01 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.421 -0.799 . . . . 0.0 108.856 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' C' ' 40' ' ' THR . 42.7 p -60.01 -40.03 87.82 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.016 -1.053 . . . . 0.0 109.331 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.03 96.12 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.041 -1.037 . . . . 0.0 108.862 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . 0.428 HG22 HD11 ' C' ' 45' ' ' ILE . 81.9 mt -60.86 -37.84 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.538 -0.726 . . . . 0.0 109.363 179.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -60.01 -40.07 87.96 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.063 -1.023 . . . . 0.0 108.447 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.67 -46.1 91.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.363 -0.836 . . . . 0.0 109.132 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 37.9 m-85 -60.14 -39.96 88.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.485 -0.759 . . . . 0.0 110.122 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.04 -39.88 87.47 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.106 -0.996 . . . . 0.0 108.967 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -59.92 -39.95 87.18 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.984 -1.072 . . . . 0.0 108.605 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -59.93 -38.83 83.5 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.611 ' NE2' HD22 ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.95 -39.95 87.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.401 -0.812 . . . . 0.0 108.909 179.844 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.17 -38.07 78.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.853 -1.154 . . . . 0.0 108.183 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.94 -40.05 87.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.338 -0.851 . . . . 0.0 109.729 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 77.9 mt -70.55 117.75 12.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.045 -1.034 . . . . 0.0 108.734 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.454 ' ND2' ' O ' ' C' ' 70' ' ' VAL . 24.7 m120 -133.28 -60.63 0.84 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.299 -0.876 . . . . 0.0 110.681 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.4 ' HB1' ' H ' ' B' ' 58' ' ' TRP . . . -153.5 116.28 4.49 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.067 -1.02 . . . . 0.0 110.247 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . 0.403 ' H ' ' HB1' ' A' ' 57' ' ' ALA . 92.1 m95 -101.83 124.29 47.21 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.488 -0.757 . . . . 0.0 110.348 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.469 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.15 24.53 73.35 Favored Glycine 0 N--CA 1.49 2.284 0 C-N-CA 120.176 -1.011 . . . . 0.0 110.897 178.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -76.61 22.73 0.17 Allowed 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.791 -1.417 . . . . 0.0 109.384 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.469 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.52 111.74 1.88 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.206 -0.934 . . . . 0.0 109.781 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -108.35 12.72 26.15 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.319 -0.863 . . . . 0.0 110.037 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.477 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 69.1 mtm180 -135.62 24.39 3.41 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.263 -0.898 . . . . 0.0 108.596 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.552 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -148.21 151.88 36.25 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.287 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -102.79 59.06 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.71 157.36 42.87 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.461 -0.774 . . . . 0.0 109.551 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -129.24 134.2 47.87 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 6.0 t -88.91 114.96 26.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.739 -1.226 . . . . 0.0 109.37 -178.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 8.8 t -110.96 120.71 43.3 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.454 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 91.1 t -122.86 83.51 49.78 Favored Pre-proline 0 N--CA 1.494 1.76 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -86.53 61.77 4.59 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.831 2.354 . . . . 0.0 111.663 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . 0.41 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 26.3 t90 -69.95 130.79 89.6 Favored Pre-proline 0 C--N 1.303 -1.455 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . 0.41 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 91.5 Cg_exo -40.42 148.84 0.17 Allowed 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 121.325 1.35 . . . . 0.0 110.781 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.585 HD22 ' NE2' ' B' ' 52' ' ' GLN . 1.9 t-20 -131.54 -38.5 1.17 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.164 -0.96 . . . . 0.0 109.232 -179.009 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.62 124.52 39.68 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.9 t -83.54 105.28 14.35 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 38.7 mt -83.08 134.97 34.99 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 121.577 0.703 . . . . 0.0 109.849 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 6.0 t -95.13 113.08 60.65 Favored Pre-proline 0 N--CA 1.495 1.775 0 O-C-N 121.643 -0.661 . . . . 0.0 109.462 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -89.37 -48.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.227 0 C-N-CA 121.576 1.518 . . . . 0.0 113.511 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -122.2 -43.54 2.31 Favored 'General case' 0 N--CA 1.506 2.358 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -177.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.657 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.1 p90 -60.04 -49.52 77.34 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.418 -1.426 . . . . 0.0 112.834 -175.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.657 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 45.6 t30 -72.14 -42.61 65.8 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 119.952 -1.717 . . . . 0.0 109.829 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.05 -50.0 75.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.923 . . . . 0.0 110.453 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.63 -42.85 99.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.776 -1.203 . . . . 0.0 109.775 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 85' ' ' THR . . . . . 0.476 ' HG1' ' N ' ' C' ' 86' ' ' TRP . 77.2 p -70.06 -39.99 75.33 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.084 -1.01 . . . . 0.0 109.239 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . 0.476 ' N ' ' HG1' ' C' ' 85' ' ' THR . 46.1 t-105 -67.95 -38.61 83.01 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.341 -0.849 . . . . 0.0 109.001 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -60.08 -39.99 87.99 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.128 -0.983 . . . . 0.0 108.846 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -62.8 -39.94 95.81 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.758 -1.214 . . . . 0.0 109.18 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.438 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.5 t90 -60.02 -50.03 75.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.362 -0.836 . . . . 0.0 110.859 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -67.33 -39.95 85.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.62 -1.3 . . . . 0.0 109.108 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -59.98 -41.17 91.41 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.144 -0.972 . . . . 0.0 110.128 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -60.1 -44.54 94.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.688 -1.258 . . . . 0.0 108.476 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.82 -40.01 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.442 -0.786 . . . . 0.0 108.93 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' C' ' 94' ' ' ASP . 57.1 t0 -59.98 -42.69 94.74 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.524 -0.735 . . . . 0.0 110.316 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -69.88 -39.96 75.98 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.922 -1.111 . . . . 0.0 109.015 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 70.8 mt -67.06 -40.08 87.02 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.252 -0.905 . . . . 0.0 108.866 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . 0.42 ' OE2' ' NH2' ' C' ' 29' ' ' ARG . 88.9 tt0 -59.97 -46.39 89.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.262 -0.899 . . . . 0.0 109.521 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -44.68 94.45 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.093 -1.004 . . . . 0.0 109.231 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . 0.531 ' OD1' ' NE ' ' B' ' 23' ' ' ARG . 14.4 t-20 -62.12 -42.08 98.88 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.235 -0.916 . . . . 0.0 109.668 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.1 -46.99 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.028 -1.045 . . . . 0.0 108.939 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 71.6 p -61.22 -40.1 92.74 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.246 -0.909 . . . . 0.0 109.705 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.91 -46.35 89.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.096 -1.002 . . . . 0.0 109.673 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.41 -40.01 85.53 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.064 -1.022 . . . . 0.0 108.951 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.67 -43.54 93.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.212 -0.93 . . . . 0.0 109.251 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.02 -43.59 95.15 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.222 -0.924 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.69 -40.01 80.27 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.225 -0.922 . . . . 0.0 108.839 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.39 97.36 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.415 -0.803 . . . . 0.0 109.612 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -60.01 -48.77 80.32 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.148 -0.97 . . . . 0.0 109.025 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.0 -50.01 81.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.564 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -64.87 -40.8 95.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.069 -1.019 . . . . 0.0 109.709 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -60.07 -49.28 78.27 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.243 -0.911 . . . . 0.0 109.79 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.97 -41.9 99.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.296 -0.877 . . . . 0.0 109.99 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.21 -40.01 96.26 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.048 -1.032 . . . . 0.0 109.983 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -63.23 -42.51 99.23 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.087 -1.008 . . . . 0.0 109.653 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 26.9 ttt -69.87 -40.04 75.95 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.088 -1.007 . . . . 0.0 108.673 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -60.06 -49.8 76.21 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.339 -0.851 . . . . 0.0 109.39 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.94 -41.32 91.58 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.245 -0.91 . . . . 0.0 109.5 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.6 mt-30 -60.98 -40.03 91.89 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.085 -1.01 . . . . 0.0 109.611 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -59.95 -39.04 84.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.174 -0.954 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.99 -46.75 88.45 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -126.47 61.44 1.3 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.547 -0.721 . . . . 0.0 109.425 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.545 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.824 0 O-C-N 120.981 -1.074 . . . . 0.0 109.11 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -68.68 143.36 54.77 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.336 -0.852 . . . . 0.0 109.127 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -90.0 61.16 5.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.214 -0.928 . . . . 0.0 109.007 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.6 mtm-85 -62.79 -39.95 95.8 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.448 -0.782 . . . . 0.0 109.212 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.9 t -59.99 -42.82 95.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.188 -0.945 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 59.2 tp -62.7 -40.03 95.87 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.073 -1.017 . . . . 0.0 109.345 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.9 mt -64.97 -38.99 92.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.369 -0.832 . . . . 0.0 109.958 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.05 88.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.034 -1.041 . . . . 0.0 108.793 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.94 -47.32 60.91 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 108.687 -1.765 . . . . 0.0 108.687 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.4 HD11 HG22 ' A' ' 10' ' ' ILE . 97.0 mt -59.91 -49.12 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.34 -1.094 . . . . 0.0 109.018 179.442 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.95 -43.26 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.0 108.935 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.425 ' NE2' HE22 ' B' ' 110' ' ' GLN . 64.0 tt0 -61.4 -40.04 92.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.308 -0.87 . . . . 0.0 109.256 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.03 -42.15 93.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.26 -0.9 . . . . 0.0 109.451 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.13 -42.13 94.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.97 -1.081 . . . . 0.0 109.024 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -60.0 -47.25 86.62 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.345 -0.847 . . . . 0.0 109.191 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.04 -42.29 94.1 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.239 -0.913 . . . . 0.0 109.615 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.33 -43.07 99.68 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.164 -0.96 . . . . 0.0 108.907 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.01 -44.33 94.64 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.481 -0.762 . . . . 0.0 109.272 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 19' ' ' ASP . 53.3 t0 -60.12 -46.77 88.51 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.085 -1.009 . . . . 0.0 109.799 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.2 -40.0 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.998 -1.064 . . . . 0.0 109.571 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.04 -41.84 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.125 -0.984 . . . . 0.0 108.553 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.44 -41.38 93.9 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.631 -0.668 . . . . 0.0 109.376 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.471 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 32.0 mmt180 -60.59 -41.12 94.05 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 109.752 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.12 -39.92 87.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.144 -0.973 . . . . 0.0 109.262 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -60.01 -46.1 90.61 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.251 -0.906 . . . . 0.0 109.215 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.83 -40.17 94.75 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.122 -0.986 . . . . 0.0 109.424 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.0 tp -64.18 -40.3 95.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 109.177 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.16 -40.15 88.9 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.369 -0.832 . . . . 0.0 109.354 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.69 -40.79 93.5 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.363 -0.835 . . . . 0.0 109.817 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.513 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.7 mt -62.81 -40.81 98.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.213 -0.929 . . . . 0.0 109.773 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.414 ' HG1' ' N ' ' A' ' 32' ' ' VAL . 81.7 p -62.54 -39.93 95.19 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.957 -1.089 . . . . 0.0 109.381 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.414 ' N ' ' HG1' ' A' ' 31' ' ' THR . 77.7 t -62.46 -39.96 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.288 -0.882 . . . . 0.0 109.256 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -59.97 -42.6 94.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.205 -0.935 . . . . 0.0 110.102 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -48.77 84.43 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -59.95 -50.09 75.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.142 -1.211 . . . . 0.0 109.937 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -61.04 -40.02 92.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.098 -1.001 . . . . 0.0 110.025 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.403 ' O ' ' OG1' ' A' ' 40' ' ' THR . 42.6 t30 -59.95 -40.79 90.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.128 -0.983 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.87 -39.92 91.04 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.232 -0.918 . . . . 0.0 109.858 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -60.02 -40.34 88.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.976 -1.077 . . . . 0.0 109.775 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 37' ' ' ASN . 56.2 p -60.05 -40.37 89.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.029 -1.045 . . . . 0.0 108.42 179.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.536 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 37.4 mtt-85 -68.96 -40.0 79.15 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.502 -0.748 . . . . 0.0 109.017 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.0 -42.59 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.21 -0.931 . . . . 0.0 108.651 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 40' ' ' THR . 52.2 p -59.99 -40.04 87.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.946 -1.096 . . . . 0.0 109.015 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.13 94.66 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.912 . . . . 0.0 108.61 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.6 mt -59.96 -39.29 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.638 -0.664 . . . . 0.0 109.368 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.99 -39.99 87.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.148 -0.97 . . . . 0.0 109.34 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -64.61 -39.96 94.64 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.795 -1.191 . . . . 0.0 109.681 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 54.2 m-85 -66.24 -39.62 89.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.912 -1.117 . . . . 0.0 109.533 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.07 -39.94 87.82 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.182 -0.949 . . . . 0.0 108.595 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -60.01 -39.96 87.6 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.827 -1.17 . . . . 0.0 108.655 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -60.02 -39.2 85.01 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.234 -0.916 . . . . 0.0 108.881 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.79 HE21 HD22 ' B' ' 74' ' ' ASN . 19.1 mt-30 -59.97 -40.03 87.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.034 -1.041 . . . . 0.0 109.128 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.87 -39.98 75.32 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -59.99 -39.56 86.17 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.72 114.84 7.43 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.3 -0.875 . . . . 0.0 108.715 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.693 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 74.9 m-80 -134.83 -65.54 0.62 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.35 -0.844 . . . . 0.0 110.714 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.402 ' HB1' ' H ' ' C' ' 58' ' ' TRP . . . -153.94 116.38 4.37 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.42 -0.8 . . . . 0.0 109.824 -178.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 82.2 m95 -100.04 125.52 46.11 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.416 -0.802 . . . . 0.0 110.175 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.521 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 64.91 27.3 72.0 Favored Glycine 0 N--CA 1.489 2.231 0 C-N-CA 120.016 -1.088 . . . . 0.0 110.701 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.69 22.62 0.13 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.631 -1.511 . . . . 0.0 108.966 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.47 115.88 2.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.207 -0.933 . . . . 0.0 109.511 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.464 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 33.0 m-85 -118.2 11.99 13.36 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 121.318 -0.864 . . . . 0.0 110.673 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -137.52 24.73 2.91 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.452 ' NE2' ' CG ' ' C' ' 62' ' ' PHE . 30.1 mt-30 -143.64 152.62 41.59 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -179.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -102.61 56.31 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.21 157.89 43.22 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.471 -0.768 . . . . 0.0 110.115 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -129.99 135.04 47.84 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.2 t -89.64 113.57 25.05 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.464 -1.398 . . . . 0.0 109.567 -178.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.5 122.66 48.33 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.693 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 72.5 t -129.66 84.01 62.71 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.506 -0.746 . . . . 0.0 109.494 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -85.77 62.97 5.45 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 122.744 2.296 . . . . 0.0 111.331 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' PRO . 13.0 t90 -69.8 130.56 90.07 Favored Pre-proline 0 N--CA 1.488 1.473 0 O-C-N 121.412 -0.805 . . . . 0.0 109.037 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' TRP . 85.9 Cg_exo -39.58 147.93 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.166 0 C-N-CA 121.49 1.46 . . . . 0.0 110.911 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.752 HD22 HE21 ' C' ' 52' ' ' GLN . 2.4 t-20 -132.03 -35.6 1.21 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.391 -0.818 . . . . 0.0 109.439 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.69 126.85 42.15 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 t -80.96 110.0 16.08 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.2 mt -77.53 138.53 39.24 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.599 0.714 . . . . 0.0 109.357 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.558 ' OG1' ' CE2' ' A' ' 81' ' ' TRP . 10.0 t -139.03 85.77 15.62 Favored Pre-proline 0 N--CA 1.493 1.712 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.455 ' CD ' ' H ' ' A' ' 80' ' ' LYS . 17.4 Cg_endo -102.23 -44.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 123.604 2.87 . . . . 0.0 114.293 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.455 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 55.5 tttm -79.29 -47.94 14.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.185 -0.947 . . . . 0.0 113.13 -176.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.558 ' CE2' ' OG1' ' A' ' 78' ' ' THR . 4.2 p90 -82.88 -43.59 16.38 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 120.391 -1.443 . . . . 0.0 112.532 -177.254 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.52 ' OD1' ' NH2' ' C' ' 41' ' ' ARG . 38.0 t30 -69.34 -39.98 77.84 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.483 -1.386 . . . . 0.0 110.564 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -60.0 -49.98 75.55 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.958 -1.089 . . . . 0.0 110.03 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -60.36 -42.45 95.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.924 -1.11 . . . . 0.0 109.784 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.7 p -69.65 -40.02 76.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.186 -0.946 . . . . 0.0 109.432 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -67.47 -39.99 85.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.078 -1.014 . . . . 0.0 109.748 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.04 -41.13 91.61 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.775 -1.203 . . . . 0.0 108.751 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.01 -43.54 95.18 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.876 -1.14 . . . . 0.0 108.158 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.52 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 66.3 t90 -60.14 -49.93 75.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.5 -0.75 . . . . 0.0 109.691 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.61 -40.47 88.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.38 -0.825 . . . . 0.0 109.407 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.434 ' HG2' HH11 ' A' ' 91' ' ' ARG . 33.0 mtt-85 -65.41 -39.93 92.76 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.285 -0.884 . . . . 0.0 109.9 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -60.13 -43.22 95.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.946 -1.097 . . . . 0.0 108.804 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.16 -40.83 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.339 -0.851 . . . . 0.0 109.498 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -60.08 -44.91 94.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.131 -0.98 . . . . 0.0 110.282 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -64.84 -40.1 94.62 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.878 -1.139 . . . . 0.0 109.663 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.1 mt -66.21 -40.67 90.49 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.271 -0.893 . . . . 0.0 109.34 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.44 -42.52 99.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.141 -0.974 . . . . 0.0 109.191 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.05 -47.75 84.59 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.402 -0.812 . . . . 0.0 109.534 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.462 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.9 t-20 -60.11 -44.7 94.67 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.312 -0.868 . . . . 0.0 109.0 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.418 HG22 HD11 ' A' ' 100' ' ' ILE . 96.0 mt -60.04 -46.9 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.411 -0.805 . . . . 0.0 109.76 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.414 ' HG1' ' N ' ' A' ' 102' ' ' ALA . 45.1 p -59.98 -41.79 92.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.989 -1.07 . . . . 0.0 109.201 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.414 ' N ' ' HG1' ' A' ' 101' ' ' THR . . . -60.07 -50.06 75.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.273 -0.892 . . . . 0.0 109.518 179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.06 -43.07 95.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.329 -0.857 . . . . 0.0 109.534 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.56 -41.75 99.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.224 -0.923 . . . . 0.0 109.413 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.95 -46.83 88.14 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.076 -1.015 . . . . 0.0 109.05 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -62.7 -40.44 97.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.178 -0.952 . . . . 0.0 108.96 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.6 -43.73 97.09 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.341 -0.849 . . . . 0.0 109.485 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -60.02 -48.66 80.78 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.049 -1.032 . . . . 0.0 108.842 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.7 mt -59.99 -49.97 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.412 -0.805 . . . . 0.0 109.709 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.433 HE22 ' NE2' ' C' ' 12' ' ' GLN . 88.6 mt-30 -68.89 -40.05 79.41 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.195 -0.941 . . . . 0.0 109.558 -179.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.65 -49.93 75.53 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.268 -0.895 . . . . 0.0 109.436 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.67 -39.99 91.93 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.276 -0.89 . . . . 0.0 109.326 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -63.88 -39.99 95.48 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.318 -0.864 . . . . 0.0 109.965 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -65.44 -44.42 87.32 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.935 -1.103 . . . . 0.0 109.46 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.9 ttm -68.84 -39.97 79.65 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -60.04 -49.94 75.67 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.588 -0.695 . . . . 0.0 109.189 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.83 -39.99 91.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.239 -0.913 . . . . 0.0 109.255 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.0 -42.07 93.46 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.343 -0.848 . . . . 0.0 109.392 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.3 mt-30 -61.33 -40.71 95.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.106 -0.996 . . . . 0.0 109.678 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.03 -39.98 87.73 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.389 -0.819 . . . . 0.0 109.449 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 90.4 mt -58.57 -46.57 86.62 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -125.81 61.22 1.25 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.59 -0.694 . . . . 0.0 109.387 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 119' ' ' GLN . 2.3 p . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.036 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -68.85 143.5 54.52 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.326 -0.859 . . . . 0.0 109.051 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -89.99 61.19 5.17 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 108.99 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . 0.4 HH11 ' HG3' ' B' ' 4' ' ' ARG . 34.7 mtm-85 -62.85 -40.02 96.17 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.51 -0.744 . . . . 0.0 109.216 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 8.0 t -59.97 -42.31 93.86 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.17 -0.956 . . . . 0.0 109.329 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.29 -40.14 96.54 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.184 -0.947 . . . . 0.0 109.401 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.1 mt -64.99 -39.09 92.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.357 -0.84 . . . . 0.0 109.913 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.01 87.7 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.054 -1.029 . . . . 0.0 108.676 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.99 -47.29 60.81 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 108.736 -1.746 . . . . 0.0 108.736 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.99 -48.76 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.427 -1.043 . . . . 0.0 109.077 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.02 -43.31 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.295 -0.878 . . . . 0.0 109.037 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . 0.429 ' NE2' HE22 ' C' ' 110' ' ' GLN . 63.9 tt0 -61.64 -39.99 93.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.365 -0.834 . . . . 0.0 109.232 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.94 -41.91 92.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.209 -0.932 . . . . 0.0 109.458 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -60.52 -42.03 95.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.112 -0.992 . . . . 0.0 109.029 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.0 -47.09 87.25 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.334 -0.854 . . . . 0.0 109.215 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.16 -42.07 94.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.246 -0.909 . . . . 0.0 109.649 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.5 -43.03 99.8 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.24 -0.913 . . . . 0.0 108.776 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.1 -44.46 94.82 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.514 -0.741 . . . . 0.0 109.283 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -60.1 -46.24 90.26 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.173 -0.955 . . . . 0.0 109.915 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.59 -39.98 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.968 -1.082 . . . . 0.0 109.441 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.06 -41.8 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -60.66 -41.37 94.89 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.599 -0.688 . . . . 0.0 109.38 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ARG . . . . . 0.492 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 32.1 mmt180 -60.74 -40.61 93.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.335 -0.853 . . . . 0.0 109.831 -179.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.54 -39.94 89.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.155 -0.965 . . . . 0.0 109.119 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -60.06 -45.96 91.13 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.21 -0.931 . . . . 0.0 109.195 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -65.1 -40.03 93.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.097 -1.002 . . . . 0.0 109.401 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 tp -64.21 -40.13 95.42 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.309 -0.87 . . . . 0.0 109.253 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.12 -40.04 88.35 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.477 -0.765 . . . . 0.0 109.455 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.0 -40.51 93.82 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.259 -0.901 . . . . 0.0 109.691 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.546 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.9 mt -63.09 -40.55 97.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.189 -0.945 . . . . 0.0 109.646 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 82.7 p -62.69 -39.99 95.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.15 -0.969 . . . . 0.0 109.403 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.1 t -62.31 -40.05 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.247 -0.908 . . . . 0.0 109.257 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -60.01 -42.5 94.44 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.27 -0.894 . . . . 0.0 110.095 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -48.87 83.94 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.714 -1.355 . . . . 0.0 109.714 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.0 -49.99 75.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.057 -1.261 . . . . 0.0 109.982 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -61.09 -39.95 91.86 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.163 -0.961 . . . . 0.0 109.974 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -60.03 -40.97 91.18 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.102 -0.999 . . . . 0.0 109.232 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.53 -40.08 90.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.142 -0.974 . . . . 0.0 109.855 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -59.95 -40.26 88.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.091 -1.006 . . . . 0.0 109.792 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 55.9 p -60.18 -40.29 89.47 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.003 -1.06 . . . . 0.0 108.407 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ARG . . . . . 0.539 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 36.4 mtt-85 -68.99 -39.91 79.1 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.513 -0.742 . . . . 0.0 109.026 178.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.96 -42.63 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.178 -0.951 . . . . 0.0 108.623 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 55.9 p -60.08 -39.98 87.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.046 -1.034 . . . . 0.0 109.044 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.9 95.08 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.02 -39.34 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.628 -0.67 . . . . 0.0 109.34 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.195 -0.94 . . . . 0.0 109.416 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -64.46 -40.4 95.64 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.819 -1.175 . . . . 0.0 109.633 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 55.1 m-85 -65.85 -39.7 91.01 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.976 -1.077 . . . . 0.0 109.637 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 82.1 mt -60.13 -39.84 87.68 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.153 -0.967 . . . . 0.0 108.615 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.11 -39.97 88.05 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.941 -1.1 . . . . 0.0 108.589 178.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -60.0 -39.22 85.01 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.266 -0.896 . . . . 0.0 108.994 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . 0.755 HE21 HD22 ' C' ' 74' ' ' ASN . 18.8 mt-30 -59.94 -40.06 87.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.009 -1.057 . . . . 0.0 109.088 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.9 -40.06 75.56 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -60.02 -39.66 86.62 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 90.3 mt -68.54 114.89 7.34 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.305 -0.872 . . . . 0.0 108.734 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.693 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 75.2 m-80 -134.91 -65.34 0.63 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.449 -0.782 . . . . 0.0 110.565 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.24 116.41 4.28 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.285 -0.884 . . . . 0.0 109.827 -178.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' TRP . . . . . 0.407 ' H ' ' HB1' ' C' ' 57' ' ' ALA . 82.2 m95 -99.89 125.11 45.81 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.316 -0.865 . . . . 0.0 110.215 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 65.23 27.51 72.48 Favored Glycine 0 N--CA 1.491 2.357 0 C-N-CA 120.006 -1.092 . . . . 0.0 110.602 178.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -75.87 22.86 0.14 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.652 -1.499 . . . . 0.0 108.932 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ALA . . . . . 0.504 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.87 115.7 2.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.299 -0.876 . . . . 0.0 109.583 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' PHE . . . . . 0.46 ' CG ' ' NE2' ' C' ' 64' ' ' GLN . 33.0 m-85 -117.95 12.37 13.71 Favored 'General case' 0 N--CA 1.509 2.481 0 O-C-N 121.326 -0.859 . . . . 0.0 110.761 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.409 HH11 ' HG3' ' B' ' 63' ' ' ARG . 2.5 ptm180 -137.62 24.72 2.88 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 177.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLN . . . . . 0.464 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 30.1 mt-30 -143.77 152.7 41.57 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.62 56.36 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.15 157.88 43.27 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.534 -0.729 . . . . 0.0 110.085 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -129.99 134.8 47.67 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 7.2 t -89.48 113.6 24.99 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.471 -1.393 . . . . 0.0 109.578 -178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.64 122.81 48.76 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . 0.693 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 75.5 t -129.7 83.82 63.2 Favored Pre-proline 0 N--CA 1.495 1.817 0 O-C-N 121.562 -0.711 . . . . 0.0 109.597 -179.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -85.78 62.95 5.44 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 122.754 2.303 . . . . 0.0 111.328 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' TRP . . . . . 0.41 ' O ' ' C ' ' B' ' 73' ' ' PRO . 13.5 t90 -69.89 130.74 89.75 Favored Pre-proline 0 N--CA 1.489 1.524 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' B' ' 72' ' ' TRP . 84.9 Cg_exo -39.61 147.99 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.17 0 C-N-CA 121.371 1.38 . . . . 0.0 110.974 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ASN . . . . . 0.79 HD22 HE21 ' A' ' 52' ' ' GLN . 2.5 t-20 -132.12 -35.95 1.18 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.293 -0.88 . . . . 0.0 109.331 -179.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.57 126.88 42.07 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.2 t -81.01 109.67 15.82 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -77.16 138.62 39.59 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.555 0.693 . . . . 0.0 109.495 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' THR . . . . . 0.563 ' OG1' ' CE2' ' B' ' 81' ' ' TRP . 10.0 t -139.13 85.61 15.59 Favored Pre-proline 0 N--CA 1.494 1.731 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' PRO . . . . . 0.455 ' CD ' ' H ' ' B' ' 80' ' ' LYS . 17.5 Cg_endo -102.28 -44.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 123.676 2.917 . . . . 0.0 114.349 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' LYS . . . . . 0.455 ' H ' ' CD ' ' B' ' 79' ' ' PRO . 55.8 tttm -79.86 -47.82 14.5 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.231 -0.918 . . . . 0.0 112.982 -176.08 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' TRP . . . . . 0.563 ' CE2' ' OG1' ' B' ' 78' ' ' THR . 4.2 p90 -82.93 -43.92 15.94 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.384 -1.448 . . . . 0.0 112.361 -177.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' ASN . . . . . 0.536 ' OD1' ' NH2' ' A' ' 41' ' ' ARG . 38.2 t30 -68.91 -40.06 79.31 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.391 -1.443 . . . . 0.0 110.752 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -59.99 -49.96 75.64 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.965 -1.084 . . . . 0.0 109.978 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -60.47 -42.04 95.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.851 -1.156 . . . . 0.0 109.831 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 77.6 p -69.87 -40.07 75.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.134 -0.979 . . . . 0.0 109.51 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -67.38 -40.04 85.69 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.139 -0.975 . . . . 0.0 109.779 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.04 -41.21 91.8 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.883 -1.136 . . . . 0.0 108.784 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -60.01 -43.6 95.14 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.818 -1.176 . . . . 0.0 108.167 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' TRP . . . . . 0.513 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 66.5 t90 -59.97 -50.05 75.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.531 -0.73 . . . . 0.0 109.69 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -66.54 -40.64 89.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.36 -0.837 . . . . 0.0 109.375 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . 0.439 ' HG2' HH11 ' B' ' 91' ' ' ARG . 32.9 mtt-85 -65.18 -40.03 93.7 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.309 -0.869 . . . . 0.0 109.92 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -60.16 -43.29 95.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.98 -1.075 . . . . 0.0 108.838 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.12 -40.8 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.356 -0.84 . . . . 0.0 109.509 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -59.98 -45.35 92.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.215 -0.928 . . . . 0.0 110.278 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -64.5 -40.37 95.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.939 -1.101 . . . . 0.0 109.579 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.8 -40.46 91.9 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.172 -0.955 . . . . 0.0 109.375 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.71 -42.7 99.78 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.049 -1.032 . . . . 0.0 109.2 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.98 -47.91 83.86 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.236 -0.915 . . . . 0.0 109.346 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' ASN . . . . . 0.471 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 28.3 t-20 -59.99 -44.65 94.38 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.35 -0.844 . . . . 0.0 108.984 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' ILE . . . . . 0.411 HD11 HG22 ' B' ' 100' ' ' ILE . 94.0 mt -60.15 -46.8 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.284 -0.885 . . . . 0.0 109.729 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' THR . . . . . 0.419 ' HG1' ' N ' ' B' ' 102' ' ' ALA . 43.3 p -59.94 -41.97 93.0 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.944 -1.097 . . . . 0.0 109.296 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ALA . . . . . 0.419 ' N ' ' HG1' ' B' ' 101' ' ' THR . . . -60.05 -49.95 75.66 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.261 -0.899 . . . . 0.0 109.437 179.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.02 -43.47 95.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.337 -0.852 . . . . 0.0 109.484 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.19 -41.71 98.6 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.21 -0.931 . . . . 0.0 109.443 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.99 -46.81 88.25 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.055 -1.028 . . . . 0.0 109.119 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -62.76 -40.52 97.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.281 -0.887 . . . . 0.0 108.891 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.78 97.0 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.313 -0.867 . . . . 0.0 109.462 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -59.98 -48.35 82.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.057 -1.027 . . . . 0.0 108.862 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.28 -50.08 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.387 -0.821 . . . . 0.0 109.613 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 110' ' ' GLN . . . . . 0.425 HE22 ' NE2' ' A' ' 12' ' ' GLN . 88.8 mt-30 -68.8 -40.05 79.8 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.244 -0.91 . . . . 0.0 109.663 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -60.59 -49.73 76.38 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.214 -0.929 . . . . 0.0 109.432 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.11 -39.94 90.35 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.342 -0.848 . . . . 0.0 109.238 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -63.89 -40.08 95.68 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.267 -0.895 . . . . 0.0 109.893 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -65.41 -44.26 88.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.944 -1.097 . . . . 0.0 109.557 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 52.1 ttm -69.07 -39.92 78.79 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.04 -50.0 75.46 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.72 -40.0 90.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.149 -0.969 . . . . 0.0 109.397 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.01 -41.73 92.8 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.439 -0.788 . . . . 0.0 109.482 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.3 mt-30 -61.72 -40.69 95.94 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.089 -1.007 . . . . 0.0 109.607 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -59.98 -39.94 87.4 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.41 -0.806 . . . . 0.0 109.46 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 90.5 mt -58.74 -46.42 87.47 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -125.6 61.04 1.24 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.515 -0.741 . . . . 0.0 109.47 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' SER . . . . . 0.464 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.3 p . . . . . 0 N--CA 1.497 1.875 0 O-C-N 121.04 -1.038 . . . . 0.0 109.137 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -69.02 143.45 54.33 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.332 -0.855 . . . . 0.0 109.031 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -90.02 61.17 5.15 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.215 -0.928 . . . . 0.0 108.934 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' ARG . . . . . 0.415 HH11 ' HG3' ' C' ' 4' ' ' ARG . 34.3 mtm-85 -62.83 -39.92 95.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.488 -0.757 . . . . 0.0 109.235 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -60.02 -43.08 95.49 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.168 -0.958 . . . . 0.0 109.254 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 58.9 tp -62.42 -40.22 95.86 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.047 -1.033 . . . . 0.0 109.42 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.2 mt -64.8 -39.21 93.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.287 -0.883 . . . . 0.0 109.992 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.98 -1.075 . . . . 0.0 108.73 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.78 -47.41 61.25 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 108.672 -1.771 . . . . 0.0 108.672 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.04 -48.81 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.372 -1.075 . . . . 0.0 108.933 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 78.6 t -59.96 -43.27 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.309 -0.869 . . . . 0.0 108.945 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.433 ' NE2' HE22 ' A' ' 110' ' ' GLN . 63.9 tt0 -61.59 -40.11 93.58 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.303 -0.873 . . . . 0.0 109.25 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.94 -41.95 92.95 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.204 -0.935 . . . . 0.0 109.524 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -60.26 -42.06 94.58 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.958 -1.089 . . . . 0.0 109.084 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.98 -47.11 87.18 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.337 -0.852 . . . . 0.0 109.247 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -59.95 -42.39 93.96 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.878 . . . . 0.0 109.72 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.29 -43.06 99.69 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.236 -0.915 . . . . 0.0 108.865 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.06 -44.66 94.56 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.473 -0.767 . . . . 0.0 109.182 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -59.94 -46.78 88.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.205 -0.934 . . . . 0.0 109.896 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.14 -40.02 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.019 -1.05 . . . . 0.0 109.49 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.01 -41.81 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.193 -0.942 . . . . 0.0 108.474 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.67 -41.13 94.46 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.605 -0.684 . . . . 0.0 109.436 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' ARG . . . . . 0.462 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 32.0 mmt180 -60.72 -41.06 94.52 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.244 -0.91 . . . . 0.0 109.695 -179.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.15 -39.86 87.86 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.127 -0.983 . . . . 0.0 109.228 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -60.07 -46.12 90.61 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.255 -0.903 . . . . 0.0 109.21 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.98 -39.96 94.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.007 -1.058 . . . . 0.0 109.446 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.4 tp -64.28 -40.08 95.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.313 -0.867 . . . . 0.0 109.184 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 20.7 mt -60.26 -40.04 88.93 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.419 -0.801 . . . . 0.0 109.464 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.05 -40.32 93.17 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.247 -0.908 . . . . 0.0 109.599 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' LEU . . . . . 0.52 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.8 mt -63.23 -40.37 97.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.18 -0.95 . . . . 0.0 109.723 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' THR . . . . . 0.411 ' HG1' ' N ' ' C' ' 32' ' ' VAL . 81.9 p -62.89 -39.96 96.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.091 -1.005 . . . . 0.0 109.363 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' VAL . . . . . 0.411 ' N ' ' HG1' ' C' ' 31' ' ' THR . 78.2 t -62.51 -39.97 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.261 -0.899 . . . . 0.0 109.218 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -60.02 -42.33 94.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.221 -0.924 . . . . 0.0 110.05 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.17 -48.68 84.94 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -50.04 75.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.163 -1.198 . . . . 0.0 110.025 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -61.26 -40.03 92.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.097 -1.002 . . . . 0.0 110.02 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' ASN . . . . . 0.419 HD22 HH21 ' C' ' 41' ' ' ARG . 42.8 t30 -60.05 -40.82 90.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.133 -0.979 . . . . 0.0 109.156 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.69 -39.96 90.42 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.258 -0.901 . . . . 0.0 109.881 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -60.05 -40.48 89.56 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.025 -1.047 . . . . 0.0 109.784 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' THR . . . . . 0.409 ' OG1' ' O ' ' C' ' 37' ' ' ASN . 58.6 p -59.96 -40.2 88.22 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.972 -1.08 . . . . 0.0 108.419 179.381 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' ARG . . . . . 0.52 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 36.8 mtt-85 -69.01 -39.97 78.96 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.51 -0.744 . . . . 0.0 109.006 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.05 -42.59 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.256 -0.903 . . . . 0.0 108.681 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 56.2 p -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.007 -1.058 . . . . 0.0 109.073 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.86 95.2 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.9 mt -60.04 -39.36 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.01 -39.95 87.57 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.144 -0.973 . . . . 0.0 109.396 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -64.42 -40.12 95.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.891 -1.131 . . . . 0.0 109.713 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 55.0 m-85 -66.25 -39.72 89.7 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.974 -1.079 . . . . 0.0 109.518 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 82.2 mt -60.03 -39.98 87.75 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.153 -0.967 . . . . 0.0 108.639 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -59.98 -40.01 87.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.862 -1.149 . . . . 0.0 108.665 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' C' ' 51' ' ' ASP . 37.5 t0 -59.99 -39.06 84.43 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.291 -0.881 . . . . 0.0 109.012 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . 0.752 HE21 HD22 ' A' ' 74' ' ' ASN . 18.9 mt-30 -60.02 -39.99 87.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.965 -1.084 . . . . 0.0 109.101 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.01 -39.93 75.67 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -60.1 -39.7 87.07 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 90.0 mt -68.42 114.76 7.13 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.315 -0.866 . . . . 0.0 108.775 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' ASN . . . . . 0.698 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 75.0 m-80 -134.8 -65.55 0.63 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.418 -0.801 . . . . 0.0 110.685 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.407 ' HB1' ' H ' ' B' ' 58' ' ' TRP . . . -153.93 116.31 4.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.283 -0.886 . . . . 0.0 109.763 -178.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 58' ' ' TRP . . . . . 0.402 ' H ' ' HB1' ' A' ' 57' ' ' ALA . 82.8 m95 -99.99 125.16 45.99 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.381 -0.824 . . . . 0.0 110.068 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 59' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 65.21 27.53 72.49 Favored Glycine 0 N--CA 1.489 2.207 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.668 178.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 60' ' ' ALA . . . . . 0.407 ' O ' ' O ' ' B' ' 59' ' ' GLY . . . -75.93 22.72 0.14 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.683 -1.48 . . . . 0.0 108.925 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 61' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.66 115.77 2.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.087 -1.008 . . . . 0.0 109.61 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 62' ' ' PHE . . . . . 0.452 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 32.6 m-85 -118.07 12.21 13.56 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 121.33 -0.857 . . . . 0.0 110.731 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . 0.404 ' HG3' HH11 ' C' ' 63' ' ' ARG . 2.5 ptm180 -137.61 24.67 2.89 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 177.605 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 64' ' ' GLN . . . . . 0.46 ' NE2' ' CG ' ' B' ' 62' ' ' PHE . 30.0 mt-30 -143.71 152.55 41.43 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -102.4 56.1 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.11 157.88 43.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.414 -0.804 . . . . 0.0 110.158 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -129.96 134.92 47.77 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 7.4 t -89.43 113.42 24.76 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.512 -1.367 . . . . 0.0 109.581 -178.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.44 122.71 48.49 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 70' ' ' VAL . . . . . 0.698 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 78.0 t -129.78 84.01 62.4 Favored Pre-proline 0 N--CA 1.494 1.76 0 O-C-N 121.544 -0.723 . . . . 0.0 109.577 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -85.77 63.12 5.47 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.783 2.322 . . . . 0.0 111.399 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -69.94 130.75 89.66 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.531 -0.731 . . . . 0.0 109.042 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -39.55 147.78 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.181 0 C-N-CA 121.386 1.391 . . . . 0.0 111.054 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 74' ' ' ASN . . . . . 0.755 HD22 HE21 ' B' ' 52' ' ' GLN . 2.5 t-20 -132.18 -35.65 1.19 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.448 -0.783 . . . . 0.0 109.39 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.8 126.91 42.29 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 1.1 t -80.94 109.99 16.05 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 45.6 mt -77.61 138.48 39.15 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.564 0.697 . . . . 0.0 109.402 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 78' ' ' THR . . . . . 0.557 ' OG1' ' CE2' ' C' ' 81' ' ' TRP . 10.0 t -139.0 85.63 15.81 Favored Pre-proline 0 N--CA 1.492 1.667 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 79' ' ' PRO . . . . . 0.45 ' CD ' ' H ' ' C' ' 80' ' ' LYS . 17.8 Cg_endo -102.19 -44.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 123.597 2.865 . . . . 0.0 114.328 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 80' ' ' LYS . . . . . 0.45 ' H ' ' CD ' ' C' ' 79' ' ' PRO . 55.5 tttm -79.46 -48.06 14.58 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.181 -0.949 . . . . 0.0 113.066 -176.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 81' ' ' TRP . . . . . 0.557 ' CE2' ' OG1' ' C' ' 78' ' ' THR . 4.2 p90 -82.66 -43.64 16.69 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.441 -1.412 . . . . 0.0 112.476 -177.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 82' ' ' ASN . . . . . 0.539 ' OD1' ' NH2' ' B' ' 41' ' ' ARG . 37.7 t30 -69.2 -40.06 78.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.336 -1.478 . . . . 0.0 110.786 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -60.0 -49.97 75.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.922 -1.111 . . . . 0.0 109.88 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -60.53 -42.15 95.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.884 -1.135 . . . . 0.0 109.806 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 77.4 p -69.85 -39.91 76.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.154 -0.966 . . . . 0.0 109.512 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -67.46 -40.05 85.33 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.184 -0.948 . . . . 0.0 109.774 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.03 -41.27 91.88 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.8 -1.187 . . . . 0.0 108.763 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -60.0 -43.62 95.08 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.865 -1.147 . . . . 0.0 108.104 178.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 89' ' ' TRP . . . . . 0.546 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 66.0 t90 -60.03 -50.08 75.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.46 -0.775 . . . . 0.0 109.578 179.124 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.35 -40.62 89.94 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.392 -0.817 . . . . 0.0 109.485 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . 0.427 HH11 ' HG2' ' C' ' 91' ' ' ARG . 32.8 mtt-85 -65.33 -39.93 93.06 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.2 -0.938 . . . . 0.0 109.93 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -60.28 -42.88 96.37 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.95 -1.094 . . . . 0.0 108.798 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.36 -41.02 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.401 -0.812 . . . . 0.0 109.421 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -59.9 -45.12 93.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.0 110.429 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -64.55 -40.09 94.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.909 -1.119 . . . . 0.0 109.657 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.42 -40.4 89.52 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.186 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.64 -42.81 99.81 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.109 -0.994 . . . . 0.0 109.104 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.93 -47.7 84.72 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.37 -0.831 . . . . 0.0 109.455 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 99' ' ' ASN . . . . . 0.492 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.8 t-20 -60.05 -44.47 94.67 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.318 -0.864 . . . . 0.0 109.051 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 100' ' ' ILE . . . . . 0.4 HG22 HD11 ' C' ' 100' ' ' ILE . 94.9 mt -60.26 -46.68 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.275 -0.891 . . . . 0.0 109.721 179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 101' ' ' THR . . . . . 0.4 ' HG1' ' H ' ' C' ' 102' ' ' ALA . 43.8 p -59.99 -42.01 93.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.024 -1.048 . . . . 0.0 109.18 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 102' ' ' ALA . . . . . 0.4 ' H ' ' HG1' ' C' ' 101' ' ' THR . . . -60.07 -49.99 75.48 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.282 -0.887 . . . . 0.0 109.522 179.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.05 -43.22 95.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.286 -0.884 . . . . 0.0 109.614 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.35 -41.8 98.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 0.0 109.301 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.08 -46.47 89.47 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.185 -0.947 . . . . 0.0 108.908 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -63.02 -40.08 96.67 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.282 -0.886 . . . . 0.0 109.041 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.45 98.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.404 -0.81 . . . . 0.0 109.43 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -60.09 -48.51 81.41 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.079 -1.013 . . . . 0.0 108.847 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.25 -49.98 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 121.35 -0.844 . . . . 0.0 109.726 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . 0.429 HE22 ' NE2' ' B' ' 12' ' ' GLN . 88.4 mt-30 -68.8 -40.21 79.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.142 -0.974 . . . . 0.0 109.512 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -60.45 -49.98 75.42 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.322 -0.861 . . . . 0.0 109.474 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -65.84 -40.03 91.37 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.287 -0.883 . . . . 0.0 109.277 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -63.9 -40.16 95.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.349 -0.844 . . . . 0.0 109.977 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.45 -44.12 88.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.026 -1.046 . . . . 0.0 109.443 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 52.4 ttm -69.05 -40.0 78.82 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -60.02 -49.99 75.5 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.483 -0.761 . . . . 0.0 109.175 179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.7 -40.11 91.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.189 -0.944 . . . . 0.0 109.257 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.04 -41.67 92.76 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.292 -0.88 . . . . 0.0 109.398 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 119' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.4 mt-30 -61.72 -40.78 96.26 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.065 -1.022 . . . . 0.0 109.612 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -59.97 -39.5 85.88 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.437 -0.789 . . . . 0.0 109.763 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 90.3 mt -58.96 -46.45 88.03 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -125.94 61.14 1.26 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.61 -0.682 . . . . 0.0 109.408 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 123' ' ' SER . . . . . 0.462 ' N ' ' O ' ' C' ' 119' ' ' GLN . 2.3 p . . . . . 0 N--CA 1.495 1.798 0 O-C-N 120.998 -1.064 . . . . 0.0 109.098 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -68.88 145.08 54.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.872 -1.142 . . . . 0.0 108.702 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -88.82 62.15 6.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.075 -1.015 . . . . 0.0 109.32 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -64.46 -40.17 95.2 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.351 -0.843 . . . . 0.0 109.028 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 6' ' ' LEU . 2.4 t -59.96 -44.94 94.11 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.237 -0.914 . . . . 0.0 109.592 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.448 ' N ' HG23 ' A' ' 5' ' ' THR . 59.2 tp -60.21 -42.16 94.55 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.7 mt -62.55 -40.04 95.57 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.551 -0.718 . . . . 0.0 109.358 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.61 91.96 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.77 -46.1 94.35 Favored Glycine 0 N--CA 1.487 2.089 0 N-CA-C 108.807 -1.717 . . . . 0.0 108.807 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.14 -48.41 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.361 -1.082 . . . . 0.0 109.663 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.24 -42.95 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.032 -1.043 . . . . 0.0 109.322 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -60.98 -39.89 91.36 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.427 -0.795 . . . . 0.0 109.686 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.96 -41.72 92.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 109.374 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -61.99 -40.01 94.15 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.017 -1.052 . . . . 0.0 109.397 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.3 -45.66 92.6 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.308 -0.87 . . . . 0.0 109.314 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -61.99 -43.5 98.71 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.897 . . . . 0.0 109.611 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.57 -43.17 97.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.101 -1.0 . . . . 0.0 109.72 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.19 -43.23 96.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.121 -0.987 . . . . 0.0 109.289 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -59.98 -47.59 85.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.092 -1.005 . . . . 0.0 109.449 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.2 t -60.62 -40.09 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.306 -0.871 . . . . 0.0 109.965 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.53 -42.98 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.223 -0.923 . . . . 0.0 108.618 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.32 -40.17 96.58 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.446 -0.784 . . . . 0.0 109.01 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.531 HH11 HD23 ' B' ' 96' ' ' LEU . 30.5 mmt180 -60.8 -40.5 92.91 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.259 -0.901 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.67 -39.97 90.37 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.184 -0.948 . . . . 0.0 109.133 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -59.99 -50.05 75.26 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.38 -0.825 . . . . 0.0 109.622 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.38 -44.31 95.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.883 -1.135 . . . . 0.0 109.357 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.6 tp -60.24 -41.32 92.9 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.84 -40.37 92.6 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.445 -0.784 . . . . 0.0 109.006 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.461 HH12 ' CD ' ' A' ' 97' ' ' GLU . 50.8 mtt-85 -62.14 -41.79 98.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.233 -0.917 . . . . 0.0 109.138 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.537 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 94.2 mt -61.89 -41.48 97.94 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.134 -0.979 . . . . 0.0 109.591 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.5 p -62.72 -40.05 95.97 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.179 -0.951 . . . . 0.0 110.002 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.43 -41.52 87.76 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.165 -0.96 . . . . 0.0 109.241 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -60.04 -41.55 92.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.091 -1.005 . . . . 0.0 110.36 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.06 -50.14 70.97 Favored Glycine 0 N--CA 1.483 1.79 0 C-N-CA 119.25 -1.452 . . . . 0.0 110.262 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -60.27 -50.11 74.92 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.036 -1.273 . . . . 0.0 110.719 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.51 -40.0 89.8 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.126 -0.984 . . . . 0.0 109.97 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.502 HD21 HH21 ' A' ' 41' ' ' ARG . 44.4 t-20 -60.01 -40.54 89.61 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.954 -1.092 . . . . 0.0 109.745 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.26 -40.59 90.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.067 -1.02 . . . . 0.0 109.905 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -60.04 -41.12 91.59 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.867 -1.146 . . . . 0.0 110.081 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.2 p -60.14 -42.18 94.28 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.935 -1.103 . . . . 0.0 108.695 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.506 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 41.7 mtt-85 -65.07 -39.87 93.85 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.95 -42.31 89.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.262 -0.899 . . . . 0.0 109.041 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.4 p -59.77 -40.35 87.91 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.759 -1.213 . . . . 0.0 109.825 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.03 96.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.086 -1.009 . . . . 0.0 108.935 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.06 -39.45 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.412 -0.805 . . . . 0.0 109.326 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.88 -40.35 88.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.033 -1.042 . . . . 0.0 109.898 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -64.14 -40.29 95.85 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.096 -1.003 . . . . 0.0 109.994 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 61.8 m-85 -67.46 -38.79 84.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.776 -1.203 . . . . 0.0 110.1 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.84 -39.89 86.7 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.735 -1.228 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -60.46 -39.61 88.2 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.888 -1.133 . . . . 0.0 108.765 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -60.03 -40.0 87.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.435 -0.791 . . . . 0.0 109.019 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 48' ' ' TYR . 0.9 OUTLIER -59.78 -39.65 85.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.077 -1.015 . . . . 0.0 109.436 179.595 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.75 -35.23 74.18 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.958 -1.089 . . . . 0.0 108.678 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.94 -39.69 86.4 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.157 -0.965 . . . . 0.0 109.002 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.8 mt -71.35 113.34 8.28 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.855 -1.153 . . . . 0.0 108.903 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -134.53 -70.77 0.5 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.248 -0.907 . . . . 0.0 109.821 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.88 100.9 3.13 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.381 -0.824 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.45 ' C ' ' H ' ' A' ' 60' ' ' ALA . 71.8 m95 -115.95 150.44 37.14 Favored 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 121.447 0.641 . . . . 0.0 110.442 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 55.06 7.46 1.12 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.45 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -76.24 23.89 0.14 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.184 -1.186 . . . . 0.0 109.273 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.447 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.97 113.87 3.06 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.111 -0.993 . . . . 0.0 109.871 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -106.82 13.09 28.27 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.406 -0.809 . . . . 0.0 110.175 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.689 HH21 HH21 ' B' ' 63' ' ' ARG . 42.6 mtt-85 -121.96 23.21 10.1 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 177.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.0 mp0 -149.7 151.65 34.04 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.0 t -107.36 60.04 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.077 -1.014 . . . . 0.0 109.057 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.37 157.99 42.06 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.475 -0.765 . . . . 0.0 109.854 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -126.26 132.78 51.62 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.417 ' O ' HG23 ' A' ' 68' ' ' THR . 4.7 t -97.82 119.56 36.63 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-O 121.94 0.876 . . . . 0.0 110.499 -178.233 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 69' ' ' THR . 15.0 t -115.36 121.19 42.06 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.6 t -124.98 86.34 56.72 Favored Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 121.478 -0.764 . . . . 0.0 109.58 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -83.92 66.35 7.14 Favored 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 122.669 2.246 . . . . 0.0 111.91 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' PRO . 22.7 t90 -69.57 132.64 89.17 Favored Pre-proline 0 N--CA 1.488 1.471 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.416 ' C ' ' O ' ' A' ' 72' ' ' TRP . 80.1 Cg_exo -40.01 148.69 0.15 Allowed 'Trans proline' 0 C--N 1.316 -1.156 0 C-N-CA 121.22 1.28 . . . . 0.0 111.147 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.554 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 8.4 t-20 -130.3 -53.65 1.1 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.21 124.07 33.48 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.0 m -80.46 110.06 15.55 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.008 -1.077 . . . . 0.0 108.173 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.8 mt -79.69 136.82 36.89 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.62 0.724 . . . . 0.0 109.75 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 78' ' ' THR . 5.7 t -89.64 114.5 60.82 Favored Pre-proline 0 C--N 1.298 -1.641 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -90.54 -47.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 1.023 0 C-N-CA 121.738 1.626 . . . . 0.0 113.664 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -122.1 -43.87 2.31 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -177.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.609 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.8 p90 -60.21 -47.44 85.93 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.306 -1.496 . . . . 0.0 112.749 -175.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.609 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.9 t30 -73.85 -46.99 41.54 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 119.893 -1.754 . . . . 0.0 110.697 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -60.18 -50.07 75.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.061 -1.024 . . . . 0.0 110.4 -177.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.6 -43.43 98.84 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.613 -1.305 . . . . 0.0 109.553 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 81' ' ' TRP . 69.3 p -69.71 -39.96 76.56 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.252 -0.905 . . . . 0.0 109.713 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -68.96 -40.02 79.12 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 120.879 -1.138 . . . . 0.0 109.475 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.13 -41.76 93.35 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.628 -1.295 . . . . 0.0 108.771 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.31 -41.18 96.57 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.038 -1.039 . . . . 0.0 108.566 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.534 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 71.6 t90 -60.12 -50.04 75.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.479 -0.763 . . . . 0.0 109.154 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.63 -42.47 98.93 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.225 -0.922 . . . . 0.0 109.819 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -61.96 -41.69 98.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.105 -0.997 . . . . 0.0 110.549 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -60.39 -41.07 93.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.847 -1.158 . . . . 0.0 109.268 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.45 -40.22 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 O-C-N 121.437 -0.789 . . . . 0.0 109.447 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.37 -40.65 97.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.278 -0.889 . . . . 0.0 110.871 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -69.86 -40.18 75.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.869 -1.144 . . . . 0.0 109.569 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.541 HD23 HH11 ' C' ' 23' ' ' ARG . 96.1 mt -68.24 -40.02 82.11 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.928 -1.108 . . . . 0.0 108.843 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.461 ' CD ' HH12 ' A' ' 29' ' ' ARG . 88.5 tt0 -60.65 -45.49 93.89 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.145 -0.972 . . . . 0.0 109.835 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.63 -40.03 95.85 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.132 -0.98 . . . . 0.0 109.562 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -64.46 -40.03 94.93 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.406 -0.809 . . . . 0.0 110.263 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.2 mt -66.02 -40.2 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.99 -1.069 . . . . 0.0 109.47 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.4 p -63.34 -42.05 98.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.048 -1.032 . . . . 0.0 109.647 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.5 84.69 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.089 -1.007 . . . . 0.0 109.348 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.45 -46.17 91.03 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.444 -0.785 . . . . 0.0 109.471 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.85 -41.3 97.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.045 -1.035 . . . . 0.0 109.818 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.1 -46.39 89.77 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.222 -0.923 . . . . 0.0 108.96 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.86 -42.37 99.73 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.351 -0.843 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.04 97.69 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.261 -0.899 . . . . 0.0 109.997 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.49 -43.09 97.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.25 -0.906 . . . . 0.0 109.988 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.23 -41.78 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.138 -0.976 . . . . 0.0 109.489 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -69.85 -40.17 75.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.033 -1.042 . . . . 0.0 109.558 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.03 -49.7 76.65 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.125 -0.984 . . . . 0.0 109.236 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.95 -42.45 99.12 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.247 -0.908 . . . . 0.0 109.35 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -62.26 -40.19 95.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.328 -0.858 . . . . 0.0 110.135 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -65.59 -41.62 92.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.878 -1.139 . . . . 0.0 109.256 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 60.5 ttm -70.03 -40.05 75.41 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.281 -0.887 . . . . 0.0 109.022 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.94 -45.99 90.85 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.208 -0.933 . . . . 0.0 108.758 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.79 -40.04 93.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.0 109.103 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.01 -40.35 88.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.319 -0.863 . . . . 0.0 109.106 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.8 mt-30 -61.65 -40.26 94.27 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.384 -0.823 . . . . 0.0 109.785 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -59.95 -39.98 87.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.296 -0.877 . . . . 0.0 109.377 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.2 mt -59.22 -47.31 85.83 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -130.03 62.41 1.56 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.456 -0.777 . . . . 0.0 109.708 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.053 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -68.99 144.89 54.0 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.035 -1.041 . . . . 0.0 108.615 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -88.6 61.89 6.27 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.12 -0.987 . . . . 0.0 109.462 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -64.26 -40.02 95.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.203 -0.936 . . . . 0.0 109.058 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.443 HG23 ' N ' ' B' ' 6' ' ' LEU . 2.4 t -60.11 -45.4 93.12 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.28 -0.888 . . . . 0.0 109.341 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.443 ' N ' HG23 ' B' ' 5' ' ' THR . 58.8 tp -59.96 -41.89 92.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.102 -0.998 . . . . 0.0 108.405 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.08 -39.84 95.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.55 -0.719 . . . . 0.0 109.242 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.33 93.13 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.104 -0.998 . . . . 0.0 108.447 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.56 -46.25 94.16 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.818 -1.713 . . . . 0.0 108.818 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.1 -48.61 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.27 -1.135 . . . . 0.0 109.631 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 69.8 t -60.12 -42.91 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.147 -0.97 . . . . 0.0 109.241 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -61.12 -39.85 91.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.366 -0.834 . . . . 0.0 109.792 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.98 -42.18 93.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.36 -0.838 . . . . 0.0 109.21 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -61.46 -40.04 93.06 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.15 -0.969 . . . . 0.0 109.509 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.4 -45.94 91.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.856 . . . . 0.0 109.354 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -61.37 -44.16 97.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.229 -0.919 . . . . 0.0 109.499 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.31 -43.28 96.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.143 -0.973 . . . . 0.0 109.694 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.5 tp -59.96 -43.41 95.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.114 -0.991 . . . . 0.0 109.234 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -60.15 -47.27 86.63 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.143 -0.973 . . . . 0.0 109.397 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 88.7 t -60.66 -40.6 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.22 -0.925 . . . . 0.0 109.786 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.13 -43.25 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.271 -0.893 . . . . 0.0 108.598 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -62.93 -40.32 97.27 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.475 HH11 HD23 ' C' ' 96' ' ' LEU . 30.4 mmt180 -60.73 -40.55 92.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.47 -0.769 . . . . 0.0 109.111 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.89 -39.96 91.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.191 -0.943 . . . . 0.0 109.243 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -59.95 -49.99 75.53 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.17 -0.956 . . . . 0.0 109.586 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -60.26 -44.74 95.03 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.091 -1.006 . . . . 0.0 108.985 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 43.4 tp -60.0 -41.41 92.02 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.195 -0.941 . . . . 0.0 108.584 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.5 mt -60.45 -40.41 91.06 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.333 -0.854 . . . . 0.0 109.163 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.465 HH12 ' CD ' ' B' ' 97' ' ' GLU . 49.8 mtt-85 -62.21 -41.52 98.45 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.24 -0.912 . . . . 0.0 109.152 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.492 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.6 mt -62.26 -41.18 98.22 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.896 -1.128 . . . . 0.0 109.614 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 64.3 p -62.83 -40.13 96.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.263 -0.898 . . . . 0.0 110.104 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.11 -41.45 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.381 -0.824 . . . . 0.0 109.612 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -60.13 -41.91 93.69 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.312 -0.868 . . . . 0.0 110.372 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -50.3 69.23 Favored Glycine 0 N--CA 1.487 2.084 0 C-N-CA 119.486 -1.34 . . . . 0.0 110.079 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.06 -50.06 75.2 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.095 -1.238 . . . . 0.0 110.729 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -60.71 -40.25 91.57 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.215 -0.928 . . . . 0.0 109.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.495 HD21 HH21 ' B' ' 41' ' ' ARG . 44.6 t-20 -59.94 -40.45 88.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.138 -0.976 . . . . 0.0 109.521 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.55 -40.21 90.76 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.982 . . . . 0.0 110.163 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -60.23 -40.76 91.35 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.853 -1.154 . . . . 0.0 110.045 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.404 ' O ' ' OG1' ' B' ' 43' ' ' THR . 59.5 p -60.17 -42.12 94.29 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.249 -0.98 . . . . 0.0 108.704 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.495 HH21 HD21 ' B' ' 37' ' ' ASN . 42.0 mtt-85 -65.57 -40.03 92.34 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.297 -0.877 . . . . 0.0 108.873 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.1 -41.42 86.42 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.25 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' B' ' 40' ' ' THR . 39.5 p -60.54 -40.02 90.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.955 -1.091 . . . . 0.0 109.592 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.03 97.51 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.027 -1.046 . . . . 0.0 108.896 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.15 -39.76 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.459 -0.776 . . . . 0.0 109.28 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.65 -40.02 86.29 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.208 -0.933 . . . . 0.0 109.8 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -64.4 -40.07 95.09 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.034 -1.041 . . . . 0.0 110.233 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 61.1 m-85 -67.62 -38.53 84.04 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.089 -1.007 . . . . 0.0 109.856 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.1 -39.91 87.82 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.746 -1.221 . . . . 0.0 109.365 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.2 -39.97 88.43 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.968 -1.083 . . . . 0.0 108.737 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -59.9 -39.77 86.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.25 -0.906 . . . . 0.0 109.118 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' B' ' 48' ' ' TYR . 0.9 OUTLIER -60.03 -39.85 87.32 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.069 -1.019 . . . . 0.0 109.288 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.14 -35.28 73.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.001 -1.062 . . . . 0.0 108.823 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -59.85 -39.59 85.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.144 -0.972 . . . . 0.0 108.915 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.6 mt -71.65 113.52 8.77 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.918 -1.114 . . . . 0.0 108.861 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 35.2 m120 -134.56 -70.6 0.5 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.401 -0.812 . . . . 0.0 109.841 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.91 100.72 3.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.338 -0.851 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' TRP . . . . . 0.445 ' C ' ' H ' ' B' ' 60' ' ' ALA . 72.9 m95 -115.53 150.45 36.56 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.581 -0.7 . . . . 0.0 110.277 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 55.42 6.74 1.09 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.457 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -75.88 24.23 0.13 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.111 -1.229 . . . . 0.0 109.359 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.08 113.83 3.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.848 . . . . 0.0 110.018 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -106.97 13.25 27.81 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.338 -0.851 . . . . 0.0 110.334 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.771 HH21 HH21 ' C' ' 63' ' ' ARG . 41.7 mtt-85 -121.92 23.3 10.08 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 177.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 30.0 mp0 -149.8 151.65 33.9 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.6 t -107.52 59.73 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.12 -0.988 . . . . 0.0 109.015 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.45 158.1 43.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.479 -0.763 . . . . 0.0 109.805 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -126.44 132.68 51.42 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.416 HG23 ' O ' ' B' ' 68' ' ' THR . 4.8 t -97.84 119.42 36.41 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 121.787 0.803 . . . . 0.0 110.406 -178.098 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.577 HG23 ' O ' ' B' ' 69' ' ' THR . 14.9 t -115.39 120.57 40.01 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.412 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 92.1 t -124.38 86.66 54.7 Favored Pre-proline 0 N--CA 1.498 1.962 0 O-C-N 121.337 -0.852 . . . . 0.0 109.588 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -84.12 66.46 6.98 Favored 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.077 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' B' ' 73' ' ' PRO . 22.0 t90 -69.54 132.92 89.09 Favored Pre-proline 0 N--CA 1.489 1.494 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.401 ' C ' ' O ' ' B' ' 72' ' ' TRP . 82.1 Cg_exo -40.3 148.66 0.17 Allowed 'Trans proline' 0 C--N 1.317 -1.116 0 C-N-CA 121.179 1.253 . . . . 0.0 111.082 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.544 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 8.5 t-20 -130.29 -53.78 1.1 Allowed 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.08 124.14 33.47 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 9.5 m -80.49 109.99 15.52 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.801 -1.187 . . . . 0.0 108.066 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.7 mt -79.2 136.92 37.23 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.617 0.722 . . . . 0.0 109.658 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.54 HG23 ' O ' ' B' ' 78' ' ' THR . 5.8 t -89.69 115.3 63.51 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -91.34 -47.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.033 0 C-N-CA 121.736 1.624 . . . . 0.0 113.699 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.88 -44.33 2.31 Favored 'General case' 0 N--CA 1.507 2.416 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.607 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -60.11 -47.02 87.63 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.261 -1.524 . . . . 0.0 112.88 -175.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.607 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 65.0 t30 -74.25 -47.05 37.61 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 119.999 -1.688 . . . . 0.0 110.631 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -59.9 -50.14 74.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.078 -1.014 . . . . 0.0 110.58 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -62.87 -43.27 99.23 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.779 -1.2 . . . . 0.0 109.378 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.516 HG23 ' O ' ' B' ' 81' ' ' TRP . 68.4 p -69.72 -40.11 76.43 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.211 -0.931 . . . . 0.0 109.764 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -68.68 -40.02 80.3 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.882 -1.136 . . . . 0.0 109.504 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.14 -41.25 92.32 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 118.625 -1.23 . . . . 0.0 108.845 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.64 -41.52 97.62 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.062 -1.024 . . . . 0.0 108.583 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.537 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 70.4 t90 -60.13 -49.86 75.99 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.52 -0.738 . . . . 0.0 109.089 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -61.52 -42.99 99.63 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.345 -0.847 . . . . 0.0 109.941 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -61.16 -42.26 98.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.173 -0.954 . . . . 0.0 110.472 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -60.34 -41.05 92.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.959 -1.088 . . . . 0.0 109.279 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.0 t -63.39 -40.26 88.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.537 -0.727 . . . . 0.0 109.457 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -62.33 -40.85 97.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.141 -0.974 . . . . 0.0 110.649 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -69.62 -39.82 76.95 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.724 -1.235 . . . . 0.0 109.73 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 96' ' ' LEU . . . . . 0.531 HD23 HH11 ' A' ' 23' ' ' ARG . 96.2 mt -68.2 -40.48 82.16 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.078 -1.014 . . . . 0.0 108.736 179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 97' ' ' GLU . . . . . 0.465 ' CD ' HH12 ' B' ' 29' ' ' ARG . 88.7 tt0 -60.69 -46.02 91.98 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.25 -0.906 . . . . 0.0 109.573 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.31 -40.02 96.19 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.936 -1.103 . . . . 0.0 109.397 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -64.49 -40.21 95.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.307 -0.87 . . . . 0.0 110.408 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.9 mt -66.05 -40.27 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.122 -0.986 . . . . 0.0 109.483 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 42.0 p -62.86 -42.87 99.92 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.935 -1.103 . . . . 0.0 109.688 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.3 84.16 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.078 -1.014 . . . . 0.0 109.335 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.51 -45.74 92.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.332 -0.855 . . . . 0.0 109.49 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.97 -41.34 97.9 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.016 -1.052 . . . . 0.0 109.753 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.13 -46.16 90.58 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.199 -0.938 . . . . 0.0 108.924 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.87 -42.33 99.72 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.291 -0.881 . . . . 0.0 109.38 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.07 98.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.897 . . . . 0.0 109.859 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.29 -43.13 96.54 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.154 -0.966 . . . . 0.0 109.983 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.69 -41.53 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.396 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -69.97 -40.32 75.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.125 -0.985 . . . . 0.0 109.436 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -59.83 -50.02 75.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.255 -0.903 . . . . 0.0 109.603 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.63 -42.89 99.53 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.341 -0.849 . . . . 0.0 109.163 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -62.05 -40.49 95.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.305 -0.872 . . . . 0.0 110.189 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -65.24 -41.8 93.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.741 -1.225 . . . . 0.0 109.387 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 60.4 ttm -69.76 -40.1 76.31 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.366 -0.834 . . . . 0.0 108.817 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.97 -45.87 91.28 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.236 -0.915 . . . . 0.0 108.745 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.66 -40.13 93.84 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.353 -0.842 . . . . 0.0 109.222 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.97 -40.7 89.95 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.454 -0.779 . . . . 0.0 109.039 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' B' ' 123' ' ' SER . 98.1 mt-30 -61.38 -40.3 93.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 110.068 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -60.12 -39.72 87.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.292 -0.88 . . . . 0.0 109.318 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.5 -47.09 86.87 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -130.08 62.12 1.57 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.514 -0.741 . . . . 0.0 109.716 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.515 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.135 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -68.9 145.06 53.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.133 -0.98 . . . . 0.0 108.411 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -88.99 61.92 6.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.146 -0.971 . . . . 0.0 109.223 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 4' ' ' ARG . . . . . 0.408 ' HG3' HH11 ' C' ' 4' ' ' ARG . 42.0 mtm-85 -64.24 -40.14 95.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.229 -0.919 . . . . 0.0 108.96 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.444 HG23 ' N ' ' C' ' 6' ' ' LEU . 2.3 t -60.07 -45.03 94.25 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.271 -0.893 . . . . 0.0 109.543 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.444 ' N ' HG23 ' C' ' 5' ' ' THR . 59.9 tp -60.19 -41.83 93.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.116 -0.99 . . . . 0.0 108.423 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 20.8 mt -63.01 -40.08 96.71 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.5 92.53 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.544 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.29 -46.5 93.78 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.01 -48.75 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.203 -1.175 . . . . 0.0 109.696 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.07 -42.65 90.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.008 -1.057 . . . . 0.0 109.233 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -61.51 -39.64 91.73 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.225 -0.922 . . . . 0.0 109.506 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.85 -42.4 93.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.061 -1.025 . . . . 0.0 109.328 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -61.42 -40.08 93.12 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.125 -0.984 . . . . 0.0 109.262 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.22 -46.15 90.75 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.0 109.351 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -61.6 -43.39 98.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.151 -0.968 . . . . 0.0 109.589 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.66 -43.64 97.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.436 -0.79 . . . . 0.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.03 -43.23 95.44 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.093 -1.004 . . . . 0.0 109.362 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -60.0 -47.46 85.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.976 -1.077 . . . . 0.0 109.481 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 94.6 t -60.49 -40.18 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.244 -0.91 . . . . 0.0 109.98 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.24 -43.14 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.121 -0.987 . . . . 0.0 108.611 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -63.08 -40.24 97.06 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.43 -0.794 . . . . 0.0 109.144 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.541 HH11 HD23 ' A' ' 96' ' ' LEU . 30.4 mmt180 -60.67 -40.8 93.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.389 -0.82 . . . . 0.0 109.191 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.92 -40.0 91.53 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.153 -0.967 . . . . 0.0 109.391 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -60.02 -49.51 77.39 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.171 -0.956 . . . . 0.0 109.585 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.68 -44.27 96.7 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.901 -1.124 . . . . 0.0 109.174 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.19 -41.38 92.83 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 mt -61.02 -40.23 92.79 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.271 -0.893 . . . . 0.0 108.975 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 29' ' ' ARG . . . . . 0.465 HH12 ' CD ' ' C' ' 97' ' ' GLU . 50.8 mtt-85 -62.17 -41.68 98.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.175 -0.953 . . . . 0.0 109.331 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.534 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 93.6 mt -62.1 -41.54 98.31 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.067 -1.02 . . . . 0.0 109.641 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 62.9 p -62.64 -40.24 96.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.071 -1.018 . . . . 0.0 109.854 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.14 -41.72 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.248 -0.907 . . . . 0.0 109.546 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -59.81 -41.77 92.01 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.125 -0.984 . . . . 0.0 110.373 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.82 -50.54 66.54 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.41 -1.376 . . . . 0.0 110.281 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.2 -50.01 75.38 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.04 -1.27 . . . . 0.0 110.759 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.74 -40.09 91.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.991 -1.068 . . . . 0.0 109.989 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.499 HD21 HH21 ' C' ' 41' ' ' ARG . 44.0 t-20 -60.06 -40.29 88.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.05 -1.031 . . . . 0.0 109.428 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.51 -40.18 90.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.884 -1.135 . . . . 0.0 110.017 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.45 -40.57 91.64 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.97 -1.081 . . . . 0.0 110.145 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 69.6 p -60.34 -42.03 94.83 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.011 -1.056 . . . . 0.0 108.617 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.523 ' NH2' ' CG ' ' A' ' 82' ' ' ASN . 41.5 mtt-85 -65.64 -40.02 92.08 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.23 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.01 -41.67 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.159 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 40.0 p -60.03 -40.38 89.15 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.807 -1.183 . . . . 0.0 109.794 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.58 -42.81 97.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.994 -1.066 . . . . 0.0 108.951 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.99 -39.86 81.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.365 -0.835 . . . . 0.0 109.273 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.45 -40.17 85.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.146 -0.971 . . . . 0.0 110.067 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -64.01 -40.26 95.95 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.982 -1.074 . . . . 0.0 109.998 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 62.1 m-85 -67.75 -38.57 83.67 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.893 -1.13 . . . . 0.0 109.889 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 83.1 mt -59.87 -40.1 87.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.663 -1.273 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -60.09 -39.83 87.45 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.934 -1.104 . . . . 0.0 108.685 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -60.04 -39.87 87.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.24 -0.913 . . . . 0.0 109.078 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' C' ' 48' ' ' TYR . 0.9 OUTLIER -59.84 -39.86 86.56 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.868 -1.145 . . . . 0.0 109.275 179.619 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 53' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -59.28 -35.5 73.84 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.859 -1.151 . . . . 0.0 108.739 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.99 -39.65 86.47 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.228 -0.92 . . . . 0.0 108.837 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 70.0 mt -71.4 113.32 8.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.876 -1.14 . . . . 0.0 108.984 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 56' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 35.1 m120 -134.53 -70.3 0.51 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.408 -0.807 . . . . 0.0 109.803 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.17 101.64 3.16 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.41 -0.806 . . . . 0.0 109.187 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 58' ' ' TRP . . . . . 0.449 ' C ' ' H ' ' C' ' 60' ' ' ALA . 72.1 m95 -116.74 150.72 37.77 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.571 -0.706 . . . . 0.0 110.255 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 59' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 54.95 7.19 0.96 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 60' ' ' ALA . . . . . 0.457 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -76.23 24.01 0.14 Allowed 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.122 -1.222 . . . . 0.0 109.246 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 61' ' ' ALA . . . . . 0.439 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.03 113.7 3.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.08 -1.013 . . . . 0.0 109.837 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -106.79 13.24 28.14 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.391 -0.818 . . . . 0.0 110.2 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 63' ' ' ARG . . . . . 0.771 HH21 HH21 ' B' ' 63' ' ' ARG . 44.2 mtt-85 -121.87 23.39 10.09 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 177.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 30.0 mp0 -150.15 151.43 33.1 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 6.7 t -107.18 59.91 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.112 -0.992 . . . . 0.0 109.053 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.88 158.16 42.84 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.411 -0.805 . . . . 0.0 109.918 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -126.68 132.57 51.15 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.419 HG23 ' O ' ' C' ' 68' ' ' THR . 4.9 t -97.63 119.83 36.92 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.292 -0.88 . . . . 0.0 110.539 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 69' ' ' THR . . . . . 0.569 HG23 ' O ' ' C' ' 69' ' ' THR . 15.3 t -115.74 120.98 41.1 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.41 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 94.6 t -124.62 86.53 55.48 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 121.347 -0.846 . . . . 0.0 109.615 -179.157 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -84.11 66.08 7.0 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.732 2.288 . . . . 0.0 112.017 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.412 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 22.2 t90 -69.38 132.65 89.53 Favored Pre-proline 0 C--N 1.301 -1.533 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' C' ' 72' ' ' TRP . 79.8 Cg_exo -40.2 148.39 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.205 0 C-N-CA 121.335 1.357 . . . . 0.0 111.0 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.531 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 8.8 t-20 -129.97 -53.07 1.13 Allowed 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.45 124.0 33.54 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.8 m -80.4 110.28 15.7 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.794 -1.191 . . . . 0.0 108.078 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 mt -79.96 136.86 36.72 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.748 0.785 . . . . 0.0 109.716 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.549 HG23 ' O ' ' C' ' 78' ' ' THR . 5.9 t -89.67 114.73 61.73 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.664 -0.648 . . . . 0.0 109.366 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -90.73 -47.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.031 0 C-N-CA 121.697 1.598 . . . . 0.0 113.809 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -122.08 -44.28 2.29 Favored 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -177.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.599 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.5 p90 -59.84 -47.32 86.21 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.375 -1.453 . . . . 0.0 112.882 -175.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.599 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.0 t30 -74.59 -46.55 37.94 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 119.864 -1.773 . . . . 0.0 110.569 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -60.09 -50.02 75.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.02 -1.05 . . . . 0.0 110.677 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -63.04 -42.95 99.86 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.702 -1.249 . . . . 0.0 109.412 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.514 HG23 ' O ' ' C' ' 81' ' ' TRP . 71.1 p -70.1 -39.99 75.21 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.198 -0.939 . . . . 0.0 109.82 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 35.5 t-105 -68.82 -40.1 79.69 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.354 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.09 -41.81 93.27 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.644 -1.285 . . . . 0.0 108.751 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.01 -41.78 97.19 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.956 -1.09 . . . . 0.0 108.474 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.492 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 71.1 t90 -60.04 -49.86 76.0 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.36 -42.74 99.19 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.342 -0.849 . . . . 0.0 109.921 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.65 -41.97 98.26 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.186 -0.946 . . . . 0.0 110.454 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -60.12 -42.02 93.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.94 -1.1 . . . . 0.0 109.171 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.67 -40.43 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.398 -0.814 . . . . 0.0 109.395 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.17 -40.42 95.96 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.2 -0.937 . . . . 0.0 110.895 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -69.99 -39.93 75.62 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.975 -1.078 . . . . 0.0 109.723 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 96' ' ' LEU . . . . . 0.475 HD23 HH11 ' B' ' 23' ' ' ARG . 96.1 mt -68.51 -40.0 81.01 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.114 -0.991 . . . . 0.0 108.815 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 97' ' ' GLU . . . . . 0.465 ' CD ' HH12 ' C' ' 29' ' ' ARG . 88.6 tt0 -60.82 -46.01 92.21 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 121.138 -0.976 . . . . 0.0 109.617 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.35 -40.24 96.75 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.003 -1.061 . . . . 0.0 109.459 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -64.14 -40.43 96.14 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.377 -0.827 . . . . 0.0 110.333 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.83 -40.44 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.079 -1.013 . . . . 0.0 109.523 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 44.1 p -63.1 -42.02 99.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.015 -1.053 . . . . 0.0 109.703 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.82 -46.59 84.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.09 -1.006 . . . . 0.0 109.187 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.41 -46.54 89.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.41 -0.806 . . . . 0.0 109.453 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.46 -41.5 97.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.042 -1.036 . . . . 0.0 109.806 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.0 -46.15 90.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.268 -0.895 . . . . 0.0 108.978 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.85 -42.27 99.68 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.6 98.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.332 -0.855 . . . . 0.0 110.008 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.79 -42.95 98.56 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.924 -1.11 . . . . 0.0 109.99 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.43 -41.85 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.132 -0.98 . . . . 0.0 109.448 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -69.85 -40.12 75.98 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -59.99 -49.9 75.86 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.194 -0.942 . . . . 0.0 109.352 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.8 -42.31 98.85 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.324 -0.86 . . . . 0.0 109.325 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -62.58 -40.26 96.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.281 -0.887 . . . . 0.0 110.126 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -65.53 -41.83 92.63 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.009 -1.057 . . . . 0.0 109.326 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 60.5 ttm -69.82 -39.97 76.18 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.355 -0.841 . . . . 0.0 108.791 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.86 -46.49 89.14 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.37 -0.831 . . . . 0.0 108.792 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.24 -40.05 92.59 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.456 -0.778 . . . . 0.0 109.19 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.04 -40.66 90.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.398 -0.813 . . . . 0.0 109.071 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.8 mt-30 -61.36 -40.42 94.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.887 . . . . 0.0 109.786 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -60.06 -39.3 85.53 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.09 -1.006 . . . . 0.0 109.307 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.62 -46.92 87.55 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -130.41 62.34 1.58 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.388 -0.82 . . . . 0.0 109.494 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.494 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 118.113 -0.946 . . . . 0.0 108.906 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -69.96 145.17 52.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.259 -0.9 . . . . 0.0 109.116 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -88.23 61.64 6.33 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.14 -0.975 . . . . 0.0 109.147 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.489 ' HG2' HH11 ' A' ' 4' ' ' ARG . 30.2 mtt-85 -65.1 -39.91 93.82 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.553 HG23 ' N ' ' A' ' 6' ' ' LEU . 9.9 t -60.04 -44.38 94.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.331 -0.856 . . . . 0.0 109.545 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.553 ' N ' HG23 ' A' ' 5' ' ' THR . 59.6 tp -60.09 -45.3 93.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.94 -1.1 . . . . 0.0 108.66 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.7 mt -59.98 -39.99 87.56 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.52 -0.738 . . . . 0.0 109.567 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.95 87.13 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.131 -0.98 . . . . 0.0 108.569 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.02 64.22 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.99 -46.72 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.412 -1.051 . . . . 0.0 109.542 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.96 -46.61 93.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.007 -1.058 . . . . 0.0 109.266 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.76 -39.93 90.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.326 -0.858 . . . . 0.0 109.991 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.06 -40.77 90.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.021 -1.05 . . . . 0.0 108.933 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -62.25 -41.34 98.35 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.049 -1.032 . . . . 0.0 109.261 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -61.42 -42.63 99.05 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.012 -1.055 . . . . 0.0 108.674 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -63.04 -40.83 98.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.312 -0.868 . . . . 0.0 109.495 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.43 -39.98 92.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.154 -0.967 . . . . 0.0 109.212 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.63 -42.98 99.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.349 -0.845 . . . . 0.0 109.294 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -60.02 -48.99 79.41 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.25 -0.907 . . . . 0.0 109.778 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.98 -40.25 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.161 -0.962 . . . . 0.0 109.707 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.06 -43.2 92.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.24 -0.913 . . . . 0.0 108.89 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -63.17 -40.45 97.58 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.475 ' HE ' HD11 ' B' ' 103' ' ' LEU . 53.9 mtt-85 -60.35 -40.05 89.34 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.3 -0.875 . . . . 0.0 109.536 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.09 -40.05 88.25 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.082 -1.011 . . . . 0.0 109.189 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -59.93 -46.11 90.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.068 -1.02 . . . . 0.0 109.428 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.28 -41.82 98.82 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.153 -0.967 . . . . 0.0 109.957 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.595 HD23 HD13 ' B' ' 28' ' ' LEU . 23.3 tp -61.12 -40.47 93.9 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.222 -0.924 . . . . 0.0 109.7 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.601 HD13 HD23 ' C' ' 27' ' ' LEU . 86.4 mt -60.18 -40.02 88.55 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.906 . . . . 0.0 109.403 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.5 HH12 ' CD ' ' A' ' 97' ' ' GLU . 35.0 mtt-85 -60.0 -40.09 88.01 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.203 -0.936 . . . . 0.0 109.048 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 15.3 mt -64.9 -40.03 94.45 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.004 -1.06 . . . . 0.0 109.813 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.8 p -65.11 -40.0 93.9 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.933 -1.105 . . . . 0.0 109.739 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.61 -40.0 85.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.246 -0.909 . . . . 0.0 109.005 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -60.05 -43.42 95.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.399 -0.813 . . . . 0.0 110.268 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.3 -49.28 80.31 Favored Glycine 0 N--CA 1.49 2.26 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.353 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -60.0 -50.03 75.36 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.111 -1.229 . . . . 0.0 110.133 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -60.01 -40.08 88.0 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.16 -0.962 . . . . 0.0 110.019 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.04 -40.61 89.96 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.086 -1.009 . . . . 0.0 109.701 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.21 -39.95 88.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.16 -0.963 . . . . 0.0 109.736 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -60.0 -41.95 93.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.028 -1.045 . . . . 0.0 109.882 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.408 ' O ' ' OG1' ' A' ' 43' ' ' THR . 40.4 p -60.48 -41.31 93.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.717 -1.239 . . . . 0.0 108.642 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.481 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 35.0 mtt-85 -64.32 -39.81 94.64 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.0 -42.59 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.391 -0.818 . . . . 0.0 109.293 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 40' ' ' THR . 71.6 p -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.056 -1.027 . . . . 0.0 109.968 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.86 92.81 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.105 -0.997 . . . . 0.0 108.966 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.64 -38.65 79.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.478 -0.764 . . . . 0.0 109.408 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.166 -0.959 . . . . 0.0 108.826 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -59.99 -44.13 94.72 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.519 -0.738 . . . . 0.0 109.623 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 68.0 m-85 -68.31 -38.36 81.52 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.174 -0.954 . . . . 0.0 109.752 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.9 -40.09 87.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.041 -1.037 . . . . 0.0 108.869 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -59.95 -40.02 87.57 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.684 -1.26 . . . . 0.0 108.223 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -60.0 -39.02 84.32 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.256 -0.903 . . . . 0.0 108.736 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' A' ' 53' ' ' ALA . 5.7 tm0? -59.77 -40.06 86.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 109.044 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.485 ' N ' ' OE1' ' A' ' 52' ' ' GLN . . . -58.25 -35.58 71.94 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.002 -1.061 . . . . 0.0 108.938 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.96 -39.87 87.08 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.197 -0.939 . . . . 0.0 109.172 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.6 mt -73.74 113.09 10.48 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.004 -1.06 . . . . 0.0 109.124 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 26.5 m120 -133.41 -70.1 0.54 Allowed 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.367 -0.833 . . . . 0.0 109.05 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.89 88.02 1.51 Allowed 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.482 ' C ' ' H ' ' A' ' 60' ' ' ALA . 60.6 m95 -103.2 151.07 23.06 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.307 -0.87 . . . . 0.0 110.944 -178.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 51.49 9.42 0.43 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.539 ' HB1' ' HA ' ' C' ' 60' ' ' ALA . . . -74.87 23.73 0.1 Allowed 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.296 -1.12 . . . . 0.0 108.877 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -155.57 109.85 2.88 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.158 -0.964 . . . . 0.0 110.217 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -105.05 12.84 31.73 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.266 -0.896 . . . . 0.0 109.739 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.64 21.89 12.7 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 177.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -151.02 152.57 33.68 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -107.1 60.13 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.043 -1.035 . . . . 0.0 109.222 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.1 157.88 43.32 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.216 -0.927 . . . . 0.0 109.436 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -124.88 133.0 53.24 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 68' ' ' THR . 5.2 t -97.54 120.08 37.25 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.33 -0.856 . . . . 0.0 110.759 -178.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.52 121.88 44.85 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.419 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 59.8 t -129.41 87.77 52.34 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.269 -0.894 . . . . 0.0 109.232 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -84.67 67.3 6.43 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.788 2.325 . . . . 0.0 112.266 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.417 ' O ' ' C ' ' A' ' 73' ' ' PRO . 32.6 t90 -69.03 130.16 91.64 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.459 -0.776 . . . . 0.0 109.096 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' TRP . 91.5 Cg_exo -39.2 148.33 0.12 Allowed 'Trans proline' 0 N--CA 1.487 1.138 0 C-N-CA 121.337 1.358 . . . . 0.0 111.473 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.555 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 19.5 t-20 -127.34 -52.63 1.39 Allowed 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.03 125.12 34.38 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.2 t -81.81 106.65 13.91 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.9 mt -80.71 135.8 36.07 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.682 0.753 . . . . 0.0 110.273 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 78' ' ' THR . 3.7 t -92.58 113.94 60.95 Favored Pre-proline 0 N--CA 1.492 1.674 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -89.67 -47.67 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.195 0 C-N-CA 121.762 1.642 . . . . 0.0 114.337 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -121.58 -44.45 2.34 Favored 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.2 p90 -59.91 -48.84 80.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.343 -1.473 . . . . 0.0 112.25 -175.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.623 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.3 t30 -70.91 -43.76 67.61 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.194 -1.566 . . . . 0.0 110.558 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -60.01 -49.99 75.51 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.037 -1.039 . . . . 0.0 110.705 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.91 -45.57 94.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.879 -1.138 . . . . 0.0 109.519 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 81' ' ' TRP . 76.5 p -68.21 -40.0 82.26 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.301 -0.874 . . . . 0.0 109.892 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.45 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 34.4 t-105 -68.38 -40.07 81.54 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.966 -1.084 . . . . 0.0 109.715 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -59.98 -41.73 92.65 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.935 -1.103 . . . . 0.0 108.957 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -62.77 -42.25 99.6 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.038 -1.039 . . . . 0.0 108.397 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.482 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 60.7 t90 -59.93 -49.97 75.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.464 -0.772 . . . . 0.0 109.822 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -66.46 -40.59 89.46 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.334 -0.854 . . . . 0.0 109.572 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.64 -40.0 88.5 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.266 -0.896 . . . . 0.0 109.911 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -60.13 -43.85 95.38 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.971 -1.081 . . . . 0.0 108.963 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.11 -40.71 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.153 -0.967 . . . . 0.0 109.274 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -60.08 -40.14 88.52 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.356 -0.84 . . . . 0.0 110.723 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -69.36 -39.94 77.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.883 -1.135 . . . . 0.0 109.418 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.91 -40.22 91.29 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.155 -0.966 . . . . 0.0 108.506 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.5 ' CD ' HH12 ' A' ' 29' ' ' ARG . 87.6 tt0 -60.04 -47.34 86.25 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.435 -0.791 . . . . 0.0 109.186 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.99 -40.0 96.45 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.269 -0.894 . . . . 0.0 109.707 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -65.98 -39.96 90.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.007 -1.058 . . . . 0.0 109.538 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.66 -40.41 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.185 -0.947 . . . . 0.0 109.18 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -61.99 -40.01 94.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.172 -0.955 . . . . 0.0 109.652 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.49 77.43 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.224 -0.923 . . . . 0.0 109.829 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.464 HD11 ' HE ' ' C' ' 23' ' ' ARG . 88.2 mt -62.54 -41.15 98.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.911 -1.118 . . . . 0.0 109.252 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.54 -46.91 88.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.093 -1.004 . . . . 0.0 108.672 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.07 -47.76 84.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.241 -0.912 . . . . 0.0 109.108 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.33 -40.91 92.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.288 -0.883 . . . . 0.0 109.494 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.46 99.56 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.343 -0.848 . . . . 0.0 109.711 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.94 -46.09 92.07 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.155 -0.965 . . . . 0.0 109.546 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.97 -48.22 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.259 -0.901 . . . . 0.0 109.19 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -68.02 -40.0 83.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.379 -0.826 . . . . 0.0 109.827 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -59.97 -49.93 75.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.123 -0.986 . . . . 0.0 109.675 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.21 -44.01 97.55 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.183 -0.948 . . . . 0.0 109.139 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.43 -43.25 99.28 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.351 -0.843 . . . . 0.0 109.809 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -63.59 -43.44 96.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.1 -1.0 . . . . 0.0 109.517 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.53 -40.03 80.9 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.129 -0.982 . . . . 0.0 108.657 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -60.01 -48.58 81.13 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.492 -0.755 . . . . 0.0 109.312 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.85 -39.9 95.81 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.127 -0.983 . . . . 0.0 109.496 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.0 -40.19 92.58 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.254 -0.904 . . . . 0.0 109.582 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.0 mt-30 -60.55 -41.84 95.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.071 -1.018 . . . . 0.0 110.055 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -60.46 -39.47 87.68 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.078 -1.014 . . . . 0.0 109.491 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.441 HD13 ' NH1' ' A' ' 4' ' ' ARG . 94.9 mt -59.36 -47.66 84.59 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -124.1 60.12 1.14 Allowed 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 117.963 -1.017 . . . . 0.0 108.943 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.197 0.522 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -69.91 145.12 52.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.268 -0.895 . . . . 0.0 109.127 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -88.11 61.54 6.34 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.084 -1.01 . . . . 0.0 109.167 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.487 ' HG2' HH11 ' B' ' 4' ' ' ARG . 30.1 mtt-85 -65.11 -39.78 93.59 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.554 HG23 ' N ' ' B' ' 6' ' ' LEU . 9.7 t -59.99 -44.44 94.51 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.39 -0.819 . . . . 0.0 109.538 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.554 ' N ' HG23 ' B' ' 5' ' ' THR . 59.8 tp -60.02 -45.45 92.75 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.009 -1.057 . . . . 0.0 108.611 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.7 mt -59.93 -39.81 86.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.546 -0.721 . . . . 0.0 109.63 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.03 87.73 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.118 -0.989 . . . . 0.0 108.597 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.37 -46.34 64.17 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.9 -46.67 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -1.096 . . . . 0.0 109.611 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 63.5 t -60.0 -46.74 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.072 -1.017 . . . . 0.0 109.292 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.45 -40.06 89.78 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.271 -0.893 . . . . 0.0 109.87 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.05 -40.64 90.11 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.041 -1.037 . . . . 0.0 109.105 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -62.31 -41.35 98.46 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.899 -1.126 . . . . 0.0 109.274 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.61 -42.32 98.71 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.167 -0.958 . . . . 0.0 108.603 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -63.4 -40.6 97.65 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.391 -0.818 . . . . 0.0 109.454 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.58 -40.02 92.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.019 -1.051 . . . . 0.0 109.225 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.48 -43.24 99.22 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.266 -0.896 . . . . 0.0 109.155 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -60.07 -48.93 79.65 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.316 -0.865 . . . . 0.0 109.772 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.95 -40.14 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.078 -1.014 . . . . 0.0 109.767 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.97 -43.11 91.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 121.21 -0.931 . . . . 0.0 108.854 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -63.42 -40.28 96.75 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.489 ' HE ' HD11 ' C' ' 103' ' ' LEU . 54.0 mtt-85 -60.46 -39.97 89.51 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.392 -0.818 . . . . 0.0 109.558 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.1 -39.97 88.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.065 -1.022 . . . . 0.0 109.239 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -60.07 -45.71 91.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.048 -1.032 . . . . 0.0 109.386 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.03 -41.21 99.47 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.126 -0.984 . . . . 0.0 109.917 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.59 HD23 HD13 ' C' ' 28' ' ' LEU . 23.1 tp -61.45 -40.54 94.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.024 -1.047 . . . . 0.0 109.617 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.595 HD13 HD23 ' A' ' 27' ' ' LEU . 87.0 mt -59.96 -40.1 87.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.164 -0.96 . . . . 0.0 109.474 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.5 HH12 ' CD ' ' B' ' 97' ' ' GLU . 35.2 mtt-85 -59.95 -40.04 87.63 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.154 -0.967 . . . . 0.0 109.04 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.521 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 15.2 mt -65.05 -40.11 94.3 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.009 -1.057 . . . . 0.0 109.848 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 78.7 p -65.06 -39.91 93.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.913 -1.117 . . . . 0.0 109.654 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.74 -39.89 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.958 . . . . 0.0 109.012 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -60.04 -43.61 95.24 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.351 -0.843 . . . . 0.0 110.301 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -49.46 78.29 Favored Glycine 0 N--CA 1.49 2.252 0 C-N-CA 119.78 -1.2 . . . . 0.0 110.339 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.93 -50.04 75.34 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.036 -1.273 . . . . 0.0 110.102 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -59.99 -40.02 87.76 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.206 -0.934 . . . . 0.0 109.982 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.23 -40.47 90.34 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.192 -0.943 . . . . 0.0 109.687 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.21 -40.07 88.82 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.061 -1.024 . . . . 0.0 109.712 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -59.92 -41.9 92.77 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.042 -1.037 . . . . 0.0 110.039 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 43.1 p -60.48 -41.28 93.89 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.731 -1.231 . . . . 0.0 108.546 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.488 ' NH2' ' CG ' ' C' ' 82' ' ' ASN . 35.0 mtt-85 -64.16 -40.04 95.28 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.96 -42.71 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.54 -0.725 . . . . 0.0 109.186 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 70.8 p -60.0 -40.02 87.79 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.99 -1.069 . . . . 0.0 110.079 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.9 92.86 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.08 -1.013 . . . . 0.0 108.889 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.51 -38.81 79.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.52 -0.737 . . . . 0.0 109.467 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.145 -0.972 . . . . 0.0 108.758 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -60.06 -44.1 94.94 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.531 -0.73 . . . . 0.0 109.574 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 67.6 m-85 -68.21 -38.36 81.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.219 -0.925 . . . . 0.0 109.811 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 64.2 mt -59.89 -40.11 87.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.092 -1.005 . . . . 0.0 108.818 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.05 -39.97 87.8 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.651 -1.281 . . . . 0.0 108.176 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -59.95 -39.08 84.32 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.244 -0.91 . . . . 0.0 108.727 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.479 ' OE1' ' N ' ' B' ' 53' ' ' ALA . 5.7 tm0? -59.85 -39.99 87.03 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.233 -0.917 . . . . 0.0 109.068 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.479 ' N ' ' OE1' ' B' ' 52' ' ' GLN . . . -58.24 -35.53 71.86 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.899 -1.125 . . . . 0.0 108.901 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.93 -39.89 87.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.193 -0.942 . . . . 0.0 109.174 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 84.0 mt -73.76 113.08 10.5 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.944 -1.097 . . . . 0.0 109.087 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 26.4 m120 -133.53 -70.12 0.53 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.374 -0.829 . . . . 0.0 109.014 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.62 88.06 1.54 Allowed 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' TRP . . . . . 0.47 ' C ' ' H ' ' B' ' 60' ' ' ALA . 60.5 m95 -103.25 151.3 22.82 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.465 -0.772 . . . . 0.0 111.055 -178.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 51.14 9.94 0.41 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.544 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -75.39 23.48 0.11 Allowed 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.246 -1.15 . . . . 0.0 108.85 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -155.13 109.63 2.95 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.196 -0.94 . . . . 0.0 110.219 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -104.81 12.69 32.36 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.283 -0.886 . . . . 0.0 109.776 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.51 21.95 12.71 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 177.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 28.7 mp0 -151.13 152.5 33.46 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -107.1 60.12 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 120.997 -1.064 . . . . 0.0 109.137 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.85 158.03 43.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.239 -0.913 . . . . 0.0 109.424 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -125.14 132.85 53.01 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.43 HG23 ' O ' ' B' ' 68' ' ' THR . 5.1 t -97.58 119.97 37.12 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.307 -0.871 . . . . 0.0 110.736 -177.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.39 121.91 45.03 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.42 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 61.3 t -129.36 87.91 52.12 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.257 -0.902 . . . . 0.0 109.192 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -84.8 67.27 6.33 Favored 'Trans proline' 0 N--CA 1.488 1.199 0 C-N-CA 122.841 2.36 . . . . 0.0 112.267 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.406 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 32.4 t90 -69.06 130.2 91.57 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.416 -0.802 . . . . 0.0 109.092 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.406 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 92.4 Cg_exo -39.21 148.3 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.32 1.347 . . . . 0.0 111.541 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.542 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 19.9 t-20 -127.27 -52.52 1.39 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.11 125.27 34.49 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 29.1 t -81.89 106.55 13.9 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 44.6 mt -80.69 135.91 36.09 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.694 0.759 . . . . 0.0 110.13 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.46 HG23 ' O ' ' B' ' 78' ' ' THR . 3.4 t -92.83 113.85 60.88 Favored Pre-proline 0 N--CA 1.494 1.736 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -89.64 -47.63 0.03 OUTLIER 'Trans proline' 0 N--CA 1.487 1.127 0 C-N-CA 121.788 1.659 . . . . 0.0 114.28 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -121.55 -44.56 2.34 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -176.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.618 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.3 p90 -59.99 -48.66 80.79 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.375 -1.453 . . . . 0.0 112.233 -175.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.618 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.2 t30 -71.13 -43.72 67.03 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.239 -1.538 . . . . 0.0 110.486 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -60.01 -50.08 75.13 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.041 -1.037 . . . . 0.0 110.637 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.58 -45.51 93.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.861 -1.149 . . . . 0.0 109.656 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.45 HG23 ' O ' ' B' ' 81' ' ' TRP . 75.0 p -68.49 -40.0 81.07 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.261 -0.899 . . . . 0.0 109.847 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' TRP . . . . . 0.453 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 34.2 t-105 -68.33 -40.06 81.75 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 118.994 -1.083 . . . . 0.0 109.734 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -59.96 -41.79 92.7 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.911 -1.118 . . . . 0.0 108.969 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.62 -42.05 99.36 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.077 -1.014 . . . . 0.0 108.582 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.497 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.7 t90 -60.09 -49.95 75.63 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.49 -0.756 . . . . 0.0 109.717 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -66.07 -41.21 91.04 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.161 -0.962 . . . . 0.0 109.543 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.1 -39.97 90.39 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.292 -0.88 . . . . 0.0 110.106 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -60.53 -43.65 96.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.115 -0.991 . . . . 0.0 108.862 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.2 -40.56 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.215 -0.928 . . . . 0.0 109.378 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -60.16 -40.0 88.36 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.382 -0.824 . . . . 0.0 110.805 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -69.48 -40.01 77.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.875 -1.14 . . . . 0.0 109.368 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.84 -40.27 91.58 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.078 -1.013 . . . . 0.0 108.541 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 97' ' ' GLU . . . . . 0.5 ' CD ' HH12 ' B' ' 29' ' ' ARG . 88.1 tt0 -59.98 -47.18 86.89 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.458 -0.776 . . . . 0.0 109.186 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.25 -40.01 96.22 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.279 -0.888 . . . . 0.0 109.696 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -65.75 -40.0 91.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.011 -1.056 . . . . 0.0 109.401 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.1 mt -65.69 -40.79 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.27 -0.894 . . . . 0.0 109.186 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 40.9 p -61.67 -40.02 93.46 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.035 -1.04 . . . . 0.0 109.753 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.96 -49.77 76.36 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.124 -0.985 . . . . 0.0 109.877 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.475 HD11 ' HE ' ' A' ' 23' ' ' ARG . 87.4 mt -62.04 -41.59 98.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.968 -1.083 . . . . 0.0 109.3 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.17 -47.01 87.75 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.055 -1.028 . . . . 0.0 108.695 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.04 -47.95 83.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.206 -0.934 . . . . 0.0 109.038 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.09 -41.22 92.02 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 0.0 109.517 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.24 99.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 0.0 109.839 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.25 -45.83 92.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.19 -0.944 . . . . 0.0 109.54 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.99 -48.52 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.901 . . . . 0.0 109.172 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.78 -39.94 84.01 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.397 -0.814 . . . . 0.0 109.816 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.11 -50.01 75.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.132 -0.98 . . . . 0.0 109.647 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.12 -43.88 97.86 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.142 -0.974 . . . . 0.0 109.104 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.63 -42.7 99.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.369 -0.832 . . . . 0.0 109.879 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -64.28 -42.85 96.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.033 -1.042 . . . . 0.0 109.544 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -68.83 -40.06 79.66 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.209 -0.932 . . . . 0.0 108.572 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -59.99 -48.57 81.16 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.447 -0.783 . . . . 0.0 109.387 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.82 -40.04 96.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.099 -1.001 . . . . 0.0 109.384 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.7 -40.57 92.71 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.344 -0.848 . . . . 0.0 109.704 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.3 mt-30 -60.38 -42.02 94.97 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.106 -0.996 . . . . 0.0 110.002 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -60.14 -39.42 86.23 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.172 -0.955 . . . . 0.0 109.667 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 121' ' ' LEU . . . . . 0.425 HD13 ' NH1' ' B' ' 4' ' ' ARG . 94.8 mt -59.54 -47.89 83.79 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -124.02 60.03 1.13 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.769 0 O-C-N 121.025 -1.047 . . . . 0.0 108.919 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.213 0.53 . . . . 0.0 109.695 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -70.03 145.22 51.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.194 -0.941 . . . . 0.0 109.071 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -88.32 61.58 6.26 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.134 -0.979 . . . . 0.0 109.194 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 4' ' ' ARG . . . . . 0.489 ' HG2' HH11 ' C' ' 4' ' ' ARG . 29.8 mtt-85 -65.12 -39.9 93.73 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.508 -0.745 . . . . 0.0 109.033 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.563 HG23 ' N ' ' C' ' 6' ' ' LEU . 9.8 t -60.04 -44.46 94.64 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.46 -0.775 . . . . 0.0 109.561 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.563 ' N ' HG23 ' C' ' 5' ' ' THR . 60.1 tp -59.91 -45.34 92.88 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.032 -1.043 . . . . 0.0 108.649 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.9 -40.04 87.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.514 -0.742 . . . . 0.0 109.678 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.04 87.14 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.152 -0.968 . . . . 0.0 108.594 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.49 -46.12 64.44 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.04 -46.73 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.387 -1.066 . . . . 0.0 109.606 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.99 -46.8 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.072 -1.017 . . . . 0.0 109.192 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.59 -39.97 90.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.157 -0.964 . . . . 0.0 109.99 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.99 -40.64 89.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.034 -1.041 . . . . 0.0 109.108 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -62.42 -40.8 97.73 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.066 -1.021 . . . . 0.0 109.325 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -61.78 -42.75 99.39 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.081 -1.012 . . . . 0.0 108.675 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.75 -41.36 99.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.286 -0.884 . . . . 0.0 109.568 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.95 -40.04 94.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.126 -0.984 . . . . 0.0 109.276 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.67 -42.97 99.64 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.376 -0.828 . . . . 0.0 109.246 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.94 -49.1 79.01 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.291 -0.88 . . . . 0.0 109.88 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.05 -40.02 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.043 -1.036 . . . . 0.0 109.667 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.01 -43.2 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.152 -0.967 . . . . 0.0 108.926 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -63.33 -40.48 97.41 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.464 ' HE ' HD11 ' A' ' 103' ' ' LEU . 54.5 mtt-85 -60.36 -40.08 89.49 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.387 -0.821 . . . . 0.0 109.592 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.0 -40.08 87.99 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.174 -0.954 . . . . 0.0 109.231 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -59.94 -45.88 91.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.009 -1.057 . . . . 0.0 109.455 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.71 -41.42 99.13 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.197 -0.939 . . . . 0.0 109.872 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.601 HD23 HD13 ' A' ' 28' ' ' LEU . 23.5 tp -61.27 -40.65 94.9 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.205 -0.935 . . . . 0.0 109.668 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.59 HD13 HD23 ' B' ' 27' ' ' LEU . 86.7 mt -60.07 -39.89 87.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.306 -0.871 . . . . 0.0 109.543 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 29' ' ' ARG . . . . . 0.508 HH12 ' CD ' ' C' ' 97' ' ' GLU . 34.4 mtt-85 -60.05 -40.01 87.95 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.223 -0.923 . . . . 0.0 108.986 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.482 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 15.3 mt -65.22 -39.99 93.5 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.045 -1.034 . . . . 0.0 109.767 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -64.94 -40.04 94.43 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.958 -1.089 . . . . 0.0 109.691 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.73 -40.01 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.232 -0.918 . . . . 0.0 109.084 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -59.96 -43.43 95.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.472 -0.767 . . . . 0.0 110.3 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.33 -49.47 78.21 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 119.84 -1.171 . . . . 0.0 110.301 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -59.96 -50.07 75.18 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.065 -1.256 . . . . 0.0 109.952 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -59.92 -39.98 87.31 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.198 -0.939 . . . . 0.0 110.07 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.1 -40.72 90.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.151 -0.968 . . . . 0.0 109.686 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.12 -40.06 88.42 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.154 -0.966 . . . . 0.0 109.702 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -60.01 -41.57 92.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.074 -1.016 . . . . 0.0 109.921 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' THR . . . . . 0.419 ' O ' ' OG1' ' C' ' 43' ' ' THR . 43.1 p -60.73 -41.3 95.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.736 -1.228 . . . . 0.0 108.503 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.469 ' NH2' ' CG ' ' A' ' 82' ' ' ASN . 35.0 mtt-85 -64.2 -39.98 95.11 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.05 -42.51 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.473 -0.767 . . . . 0.0 109.227 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' C' ' 40' ' ' THR . 69.2 p -60.03 -40.04 87.96 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.102 -0.999 . . . . 0.0 110.093 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.77 92.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.112 -0.993 . . . . 0.0 108.916 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 91.3 mt -60.65 -38.66 79.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.486 -0.759 . . . . 0.0 109.428 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.88 -40.12 87.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.192 -0.942 . . . . 0.0 108.896 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -60.06 -43.85 95.13 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.451 -0.78 . . . . 0.0 109.645 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.555 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 68.4 m-85 -68.67 -38.17 80.19 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.166 -0.959 . . . . 0.0 109.791 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 61.4 mt -59.89 -40.05 87.41 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.006 -1.059 . . . . 0.0 108.846 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -59.94 -40.04 87.61 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.738 -1.226 . . . . 0.0 108.226 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.0 -39.13 84.69 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.138 -0.976 . . . . 0.0 108.665 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' C' ' 53' ' ' ALA . 5.7 tm0? -59.83 -40.03 87.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.182 -0.949 . . . . 0.0 109.081 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 53' ' ' ALA . . . . . 0.484 ' N ' ' OE1' ' C' ' 52' ' ' GLN . . . -58.17 -35.52 71.69 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.945 -1.097 . . . . 0.0 108.955 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -59.91 -40.02 87.38 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.161 -0.962 . . . . 0.0 109.109 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 83.8 mt -73.73 113.14 10.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.97 -1.081 . . . . 0.0 109.086 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 56' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 27.0 m120 -133.55 -69.98 0.54 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.323 -0.86 . . . . 0.0 109.132 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.26 88.25 1.5 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 58' ' ' TRP . . . . . 0.46 ' C ' ' H ' ' C' ' 60' ' ' ALA . 60.8 m95 -103.36 151.27 22.94 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.426 -0.796 . . . . 0.0 110.952 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 59' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 51.56 9.43 0.45 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 178.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 60' ' ' ALA . . . . . 0.544 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -75.11 24.17 0.1 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.331 -1.099 . . . . 0.0 108.956 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 61' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.06 109.64 2.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.256 -0.903 . . . . 0.0 110.248 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -104.86 12.64 32.33 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.285 -0.885 . . . . 0.0 109.757 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.49 22.06 12.64 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 177.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 28.6 mp0 -151.25 152.53 33.37 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 t -107.18 60.25 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.112 -0.993 . . . . 0.0 109.176 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.97 157.8 43.35 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.356 -0.84 . . . . 0.0 109.375 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -124.97 132.9 53.2 Favored 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.428 HG23 ' O ' ' C' ' 68' ' ' THR . 5.1 t -97.59 120.23 37.59 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.339 -0.851 . . . . 0.0 110.756 -178.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.46 121.82 44.7 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.432 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 60.0 t -129.21 87.62 53.39 Favored Pre-proline 0 N--CA 1.499 2.01 0 O-C-N 121.371 -0.831 . . . . 0.0 109.127 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.63 67.38 6.45 Favored 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 122.739 2.293 . . . . 0.0 112.329 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.414 ' O ' ' C ' ' C' ' 73' ' ' PRO . 31.8 t90 -69.02 130.31 91.54 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.502 -0.749 . . . . 0.0 109.132 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' C' ' 72' ' ' TRP . 91.1 Cg_exo -39.35 148.28 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.173 0 C-N-CA 121.374 1.382 . . . . 0.0 111.399 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 19.9 t-20 -127.31 -52.44 1.39 Allowed 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.09 125.22 34.47 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 30.6 t -81.81 106.5 13.79 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 45.7 mt -80.66 135.87 36.1 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.6 0.714 . . . . 0.0 110.226 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.444 HG23 ' O ' ' C' ' 78' ' ' THR . 3.5 t -92.9 113.64 60.34 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -89.48 -47.67 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.169 0 C-N-CA 121.836 1.691 . . . . 0.0 114.251 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -121.65 -44.3 2.34 Favored 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.62 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.3 p90 -60.07 -48.9 79.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.302 -1.499 . . . . 0.0 112.156 -175.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.62 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.3 t30 -70.87 -43.82 67.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.194 -1.566 . . . . 0.0 110.578 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -60.07 -49.94 75.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.025 -1.047 . . . . 0.0 110.688 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.6 -45.6 93.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.786 -1.196 . . . . 0.0 109.58 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.457 HG23 ' O ' ' C' ' 81' ' ' TRP . 79.9 p -68.56 -39.91 80.86 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.284 -0.885 . . . . 0.0 109.801 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 86' ' ' TRP . . . . . 0.434 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 34.3 t-105 -68.36 -40.05 81.62 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.965 -1.084 . . . . 0.0 109.696 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -59.92 -41.9 92.74 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.891 -1.131 . . . . 0.0 109.012 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.53 -42.33 99.45 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.391 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.521 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.0 t90 -60.11 -49.97 75.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.501 -0.749 . . . . 0.0 109.825 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -65.93 -40.93 91.82 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.221 -0.924 . . . . 0.0 109.481 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.42 -40.13 89.35 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.238 -0.913 . . . . 0.0 110.03 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -60.14 -43.8 95.44 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.045 -1.034 . . . . 0.0 109.001 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.07 -40.55 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.22 -0.925 . . . . 0.0 109.395 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -60.0 -40.42 89.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.414 -0.804 . . . . 0.0 110.803 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -69.31 -39.88 78.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.933 -1.104 . . . . 0.0 109.417 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 83.5 mt -65.95 -40.26 91.19 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.135 -0.978 . . . . 0.0 108.468 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 97' ' ' GLU . . . . . 0.508 ' CD ' HH12 ' C' ' 29' ' ' ARG . 87.7 tt0 -59.95 -47.76 84.5 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.431 -0.793 . . . . 0.0 109.103 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.6 -40.0 95.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.313 -0.867 . . . . 0.0 109.782 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -65.85 -40.16 91.45 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.089 -1.007 . . . . 0.0 109.429 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.63 -40.36 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.156 -0.965 . . . . 0.0 109.184 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.9 p -62.09 -39.99 94.34 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.131 -0.981 . . . . 0.0 109.698 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.76 76.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.118 -0.989 . . . . 0.0 109.883 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 103' ' ' LEU . . . . . 0.489 HD11 ' HE ' ' B' ' 23' ' ' ARG . 87.3 mt -62.11 -41.56 98.34 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.949 -1.094 . . . . 0.0 109.184 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.11 -47.0 87.71 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.152 -0.967 . . . . 0.0 108.799 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.08 -47.59 85.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.304 -0.872 . . . . 0.0 109.167 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.53 -40.92 93.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.377 -0.827 . . . . 0.0 109.433 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.0 99.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.272 -0.892 . . . . 0.0 109.758 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.28 -45.78 93.07 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.133 -0.98 . . . . 0.0 109.629 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.91 -48.49 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.227 -0.921 . . . . 0.0 109.149 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.96 -40.01 83.28 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.41 -0.806 . . . . 0.0 109.725 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -59.99 -50.02 75.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.054 -1.029 . . . . 0.0 109.683 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.94 -44.46 96.72 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.242 -0.911 . . . . 0.0 109.098 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.09 -43.2 99.35 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.268 -0.895 . . . . 0.0 109.779 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -63.71 -43.32 96.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.015 -1.053 . . . . 0.0 109.581 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.45 -40.03 81.24 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.221 -0.924 . . . . 0.0 108.573 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -59.98 -48.68 80.7 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.432 -0.792 . . . . 0.0 109.363 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.95 -39.97 96.25 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.164 -0.96 . . . . 0.0 109.349 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.78 -40.49 92.79 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.236 -0.915 . . . . 0.0 109.558 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.2 mt-30 -60.07 -42.65 95.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.072 -1.018 . . . . 0.0 109.966 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -59.93 -38.79 83.4 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.15 -0.969 . . . . 0.0 109.821 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 121' ' ' LEU . . . . . 0.433 HD13 ' NH1' ' C' ' 4' ' ' ARG . 95.1 mt -59.89 -47.64 84.95 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -124.11 59.75 1.15 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.517 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 117.99 -1.005 . . . . 0.0 108.968 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -77.73 146.06 36.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.229 -0.919 . . . . 0.0 109.389 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 p -88.67 61.97 6.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.256 -0.902 . . . . 0.0 109.074 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -63.93 -39.98 95.4 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.372 -0.83 . . . . 0.0 109.336 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.432 ' H ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -60.83 -41.73 96.35 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.199 -0.938 . . . . 0.0 108.997 179.66 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.6 tp -61.8 -42.42 98.98 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.106 -0.996 . . . . 0.0 108.765 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.4 mt -60.06 -39.93 87.72 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.518 -0.739 . . . . 0.0 110.073 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.0 87.91 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.032 -1.042 . . . . 0.0 108.701 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.71 -46.43 54.01 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.5 mt -59.91 -46.18 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.408 -1.054 . . . . 0.0 109.79 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.3 t -60.03 -44.48 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.061 -1.024 . . . . 0.0 108.774 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.91 -40.05 94.11 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.258 -0.901 . . . . 0.0 109.744 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -59.96 -42.16 93.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.107 -0.996 . . . . 0.0 109.305 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -60.13 -42.21 94.31 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.043 -1.036 . . . . 0.0 108.731 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.58 -43.57 98.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.311 -0.868 . . . . 0.0 109.031 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -60.13 -44.58 94.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 109.147 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.42 -42.11 98.22 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.35 -0.844 . . . . 0.0 109.484 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.445 HD11 HD23 ' A' ' 104' ' ' LEU . 63.6 tp -60.27 -42.38 95.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.359 -0.838 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.97 -47.85 84.12 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.225 -0.922 . . . . 0.0 110.111 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.3 -40.77 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.04 -1.037 . . . . 0.0 109.56 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.04 -41.66 87.09 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.41 -0.806 . . . . 0.0 109.005 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -62.26 -41.15 98.2 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.505 -0.747 . . . . 0.0 109.209 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HE ' HD11 ' B' ' 103' ' ' LEU . 52.8 mtt-85 -61.66 -40.08 93.65 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.427 -0.796 . . . . 0.0 109.856 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.94 -40.07 87.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.99 -1.069 . . . . 0.0 109.538 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -59.98 -49.95 75.67 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.178 -0.951 . . . . 0.0 108.996 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.91 -42.24 97.68 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.128 -0.982 . . . . 0.0 109.37 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.63 -40.99 93.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.344 -0.847 . . . . 0.0 109.013 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.54 -40.05 90.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.348 -0.845 . . . . 0.0 109.474 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -59.99 -40.46 89.28 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.181 -0.95 . . . . 0.0 109.388 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.484 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 95.9 mt -61.57 -41.9 98.07 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.073 -1.017 . . . . 0.0 109.514 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -63.37 -40.6 97.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.121 -0.987 . . . . 0.0 109.828 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.29 -40.1 84.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.357 -0.84 . . . . 0.0 109.249 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -59.97 -43.72 94.93 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.289 -0.882 . . . . 0.0 110.451 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.07 -50.0 72.45 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.884 -1.287 . . . . 0.0 109.884 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.7 m -59.97 -49.94 75.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.101 -1.235 . . . . 0.0 109.93 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -61.68 -39.96 93.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.135 -0.978 . . . . 0.0 109.708 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.12 -40.31 89.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.318 -0.864 . . . . 0.0 109.634 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.9 mt -60.66 -40.04 90.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.167 -0.958 . . . . 0.0 109.492 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -59.94 -40.62 89.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.1 -1.0 . . . . 0.0 109.641 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.8 p -60.07 -40.29 89.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.887 -1.133 . . . . 0.0 108.482 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.842 ' NH2' HD22 ' B' ' 82' ' ' ASN . 71.9 mtt180 -66.53 -39.97 88.88 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.1 -40.09 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.449 -0.782 . . . . 0.0 109.162 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.2 p -60.02 -39.98 87.73 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.842 -1.161 . . . . 0.0 108.635 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.5 94.92 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.208 -0.932 . . . . 0.0 108.9 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.1 mt -59.97 -39.71 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.447 -0.783 . . . . 0.0 109.127 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.01 -40.13 88.19 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.2 -0.937 . . . . 0.0 110.04 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -62.4 -42.15 99.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.901 -1.124 . . . . 0.0 109.033 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.587 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 54.8 m-85 -65.5 -39.57 92.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.361 -0.837 . . . . 0.0 109.777 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.8 mt -59.96 -39.58 86.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.1 -1.0 . . . . 0.0 108.816 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.03 -40.0 87.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.419 ' HB3' HE22 ' A' ' 52' ' ' GLN . 41.2 t0 -59.96 -40.13 88.0 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.356 -0.84 . . . . 0.0 109.096 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.666 ' NE2' ' N ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.805 -1.184 . . . . 0.0 109.162 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.3 -35.78 74.41 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.011 -1.056 . . . . 0.0 108.712 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -59.99 -40.02 87.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.374 -0.829 . . . . 0.0 108.875 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.2 mt -71.49 113.85 8.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.07 -1.018 . . . . 0.0 109.082 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -134.29 -71.22 0.5 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.595 -0.691 . . . . 0.0 109.401 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.69 88.06 1.67 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -105.93 141.86 36.62 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.502 -0.749 . . . . 0.0 110.824 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 66.82 6.61 37.83 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.994 -1.642 . . . . 0.0 108.994 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.56 ' HB1' ' HA ' ' C' ' 60' ' ' ALA . . . -72.27 22.78 0.05 Allowed 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.557 -0.966 . . . . 0.0 109.568 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.74 109.73 2.34 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.171 -0.956 . . . . 0.0 109.674 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -102.22 12.29 36.94 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.196 -0.94 . . . . 0.0 110.205 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.475 ' HG2' HH11 ' A' ' 63' ' ' ARG . 6.1 mmt-85 -122.19 23.66 9.76 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -148.93 151.83 35.32 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.2 t -106.69 60.78 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.162 -0.961 . . . . 0.0 109.148 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.94 157.99 43.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.193 -0.942 . . . . 0.0 110.001 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -129.41 134.31 47.79 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.9 t -96.36 122.18 38.96 Favored 'General case' 0 N--CA 1.501 2.102 0 CA-C-O 121.917 0.865 . . . . 0.0 110.931 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.51 120.85 43.05 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -130.61 81.19 68.35 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.313 -0.867 . . . . 0.0 109.032 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.7 68.34 7.63 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.842 2.361 . . . . 0.0 112.312 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.492 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 45.1 t90 -68.31 135.06 91.1 Favored Pre-proline 0 N--CA 1.49 1.566 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.492 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 91.9 Cg_exo -39.42 149.05 0.11 Allowed 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.368 1.379 . . . . 0.0 111.022 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.538 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 2.0 t30 -127.04 -59.32 1.26 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.345 -0.847 . . . . 0.0 109.034 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.38 126.46 36.47 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.4 t -80.67 109.01 14.8 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.026 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 mt -79.54 137.44 37.18 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 78' ' ' THR . 5.2 t -86.51 115.17 61.22 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.424 -0.797 . . . . 0.0 109.69 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -93.94 -45.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.031 0 C-N-CA 121.868 1.712 . . . . 0.0 113.458 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -121.41 -45.07 2.34 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.694 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 5.4 p90 -59.94 -50.11 75.03 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.395 -1.44 . . . . 0.0 113.424 -175.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.874 HD22 ' NH2' ' C' ' 41' ' ' ARG . 4.4 t-20 -70.15 -39.73 75.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.143 -1.598 . . . . 0.0 111.015 -177.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -59.98 -49.84 76.08 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.901 -1.124 . . . . 0.0 110.387 -178.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -65.04 -41.91 94.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.525 -1.359 . . . . 0.0 109.852 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.6 p -71.72 -40.05 69.72 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.185 -0.947 . . . . 0.0 109.906 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -69.94 -39.97 75.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.012 -1.055 . . . . 0.0 109.26 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.413 ' HB2' HE21 ' A' ' 87' ' ' GLN . 19.1 mt-30 -60.01 -41.01 91.24 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.565 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.3 -41.44 96.99 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.112 -0.993 . . . . 0.0 108.532 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.499 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 59.1 t90 -59.98 -50.02 75.37 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.499 -0.75 . . . . 0.0 109.368 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.66 -40.47 96.92 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.369 -0.832 . . . . 0.0 109.396 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -60.19 -44.45 95.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.389 -0.819 . . . . 0.0 110.456 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -59.99 -41.84 92.95 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.816 -1.178 . . . . 0.0 109.58 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.94 -42.14 88.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.171 -0.956 . . . . 0.0 108.91 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -59.97 -45.52 92.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.416 -0.803 . . . . 0.0 110.225 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -64.61 -40.03 94.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.041 -1.037 . . . . 0.0 109.938 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.92 -40.56 83.37 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.896 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.455 ' O ' HG23 ' A' ' 101' ' ' THR . 88.8 tt0 -61.13 -48.72 80.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.14 -0.975 . . . . 0.0 109.194 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.84 -41.87 96.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.878 . . . . 0.0 109.502 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -65.93 -40.29 91.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.342 -0.849 . . . . 0.0 109.419 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.6 mt -68.6 -40.77 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.34 -0.85 . . . . 0.0 109.263 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 97' ' ' GLU . 35.4 p -61.72 -41.85 98.17 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.206 -0.934 . . . . 0.0 109.199 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.93 75.75 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.301 -0.874 . . . . 0.0 109.206 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.423 HD11 ' HE ' ' C' ' 23' ' ' ARG . 93.9 mt -60.66 -42.92 97.99 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.233 -0.917 . . . . 0.0 109.33 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.445 HD23 HD11 ' A' ' 18' ' ' LEU . 83.8 mt -60.07 -48.5 81.44 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.141 -0.975 . . . . 0.0 109.071 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.94 -48.55 81.23 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.158 -0.964 . . . . 0.0 109.278 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.69 -42.53 97.35 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.305 -0.872 . . . . 0.0 109.169 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.3 93.84 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.314 -0.867 . . . . 0.0 109.513 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.98 -46.19 90.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.135 -0.978 . . . . 0.0 109.471 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.04 -49.83 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 109.4 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -65.47 -40.07 92.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.327 -0.858 . . . . 0.0 109.793 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -59.97 -47.26 86.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.401 -0.812 . . . . 0.0 109.49 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.37 -41.57 98.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.185 -0.947 . . . . 0.0 109.473 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -61.58 -41.34 97.26 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.275 -0.891 . . . . 0.0 109.329 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -60.03 -48.46 81.63 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.143 -0.973 . . . . 0.0 109.083 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.49 -40.16 95.15 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.237 -0.914 . . . . 0.0 108.903 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -59.96 -47.76 84.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.412 -0.805 . . . . 0.0 108.938 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.02 -39.94 93.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.17 -0.957 . . . . 0.0 109.091 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 63.5 tp -60.05 -42.91 95.47 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.508 -0.745 . . . . 0.0 109.472 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.546 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.8 mt-30 -61.02 -40.56 94.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.252 -0.905 . . . . 0.0 110.17 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.07 -39.77 87.19 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.071 -1.018 . . . . 0.0 109.016 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.24 -47.66 84.52 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -123.79 61.14 1.09 Allowed 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.185 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.352 0.596 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -77.99 146.06 35.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.287 -0.883 . . . . 0.0 109.379 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 28.7 p -88.49 61.75 6.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.336 -0.853 . . . . 0.0 109.077 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -63.8 -40.07 95.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.553 -0.717 . . . . 0.0 109.289 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.436 ' H ' HG22 ' B' ' 5' ' ' THR . 0.1 OUTLIER -60.82 -41.45 95.78 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.135 -0.978 . . . . 0.0 108.981 179.754 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.2 tp -62.31 -42.24 99.2 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.06 -1.025 . . . . 0.0 108.755 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 32.6 mt -60.07 -40.07 88.26 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.52 -0.737 . . . . 0.0 109.929 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.97 87.52 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.1 -1.0 . . . . 0.0 108.778 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.67 -46.36 54.58 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.121 -1.591 . . . . 0.0 109.121 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.97 -46.26 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.304 -1.115 . . . . 0.0 109.727 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.03 -44.5 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.015 -1.053 . . . . 0.0 108.728 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.93 -40.0 94.0 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -0.899 . . . . 0.0 109.728 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.02 -41.95 93.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.167 -0.958 . . . . 0.0 109.312 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -60.38 -42.3 95.56 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.046 -1.033 . . . . 0.0 108.762 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.58 -43.45 98.83 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.343 -0.848 . . . . 0.0 109.013 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -60.1 -44.4 94.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.306 -0.871 . . . . 0.0 109.215 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.73 -41.94 98.3 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.297 -0.877 . . . . 0.0 109.457 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.452 HD11 HD23 ' B' ' 104' ' ' LEU . 63.6 tp -60.22 -42.58 95.48 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.403 -0.811 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -60.04 -47.55 85.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.886 . . . . 0.0 110.057 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.37 -41.02 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.13 -0.981 . . . . 0.0 109.518 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.99 -41.62 86.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.27 -0.894 . . . . 0.0 109.041 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -62.21 -41.09 98.06 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.435 -0.791 . . . . 0.0 109.125 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.435 ' HE ' HD11 ' C' ' 103' ' ' LEU . 53.7 mtt-85 -61.72 -40.03 93.61 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.354 -0.841 . . . . 0.0 109.951 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.99 -40.06 87.85 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.92 -1.113 . . . . 0.0 109.544 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -59.97 -49.7 76.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.124 -0.985 . . . . 0.0 109.057 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.37 -41.89 97.83 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.264 -0.898 . . . . 0.0 109.385 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.95 -40.98 95.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.891 . . . . 0.0 108.956 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.41 -39.93 89.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.436 -0.79 . . . . 0.0 109.428 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.02 -40.42 89.25 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.133 -0.979 . . . . 0.0 109.354 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.52 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 96.9 mt -61.69 -41.39 97.53 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.043 -1.036 . . . . 0.0 109.576 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.5 p -63.93 -40.36 96.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.0 109.759 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.1 t -61.45 -40.15 85.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.238 -0.913 . . . . 0.0 109.23 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -60.08 -43.5 95.44 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.337 -0.852 . . . . 0.0 110.398 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.41 -49.83 74.31 Favored Glycine 0 N--CA 1.488 2.148 0 C-N-CA 119.491 -1.338 . . . . 0.0 109.792 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.4 m -59.9 -50.08 75.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.129 -1.218 . . . . 0.0 110.005 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -61.43 -40.05 93.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.111 -0.993 . . . . 0.0 109.717 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.418 HD21 ' C ' ' B' ' 37' ' ' ASN . 0.5 OUTLIER -60.0 -40.86 90.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.415 -0.803 . . . . 0.0 109.487 -179.525 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.25 -40.02 88.8 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.212 -0.93 . . . . 0.0 109.507 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -59.98 -40.51 89.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.068 -1.02 . . . . 0.0 109.703 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.4 ' O ' ' OG1' ' B' ' 43' ' ' THR . 81.2 p -60.02 -40.52 89.62 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.939 -1.101 . . . . 0.0 108.399 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.843 ' NH2' HD22 ' C' ' 82' ' ' ASN . 71.5 mtt180 -66.46 -40.0 89.15 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.129 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.04 -40.09 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.501 -0.749 . . . . 0.0 109.162 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' B' ' 40' ' ' THR . 73.9 p -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.97 -1.081 . . . . 0.0 108.407 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.5 95.32 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.204 -0.935 . . . . 0.0 108.792 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 86.7 mt -60.05 -39.76 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.4 -0.813 . . . . 0.0 109.177 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.04 -39.97 87.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.9 . . . . 0.0 110.072 -178.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -62.51 -42.08 99.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.876 -1.14 . . . . 0.0 109.076 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.572 ' O ' ' NE2' ' B' ' 52' ' ' GLN . 55.1 m-85 -65.58 -39.75 91.96 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.274 -0.891 . . . . 0.0 109.704 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 57.8 mt -59.95 -39.56 86.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.053 -1.03 . . . . 0.0 108.763 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.95 -39.98 87.41 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.041 -1.037 . . . . 0.0 108.251 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -60.05 -40.01 87.94 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.332 -0.855 . . . . 0.0 109.123 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.666 ' NE2' ' N ' ' B' ' 52' ' ' GLN . 0.0 OUTLIER -59.96 -40.05 87.71 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.778 -1.201 . . . . 0.0 109.202 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -59.23 -35.68 74.08 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.962 -1.086 . . . . 0.0 108.63 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.217 -0.927 . . . . 0.0 108.88 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 63.8 mt -71.6 114.01 9.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.123 -0.985 . . . . 0.0 109.058 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -134.49 -70.79 0.5 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.578 -0.701 . . . . 0.0 109.35 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.93 88.09 1.65 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -105.97 141.78 36.79 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.531 -0.73 . . . . 0.0 110.777 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 66.69 6.86 38.25 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.531 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -72.69 22.66 0.06 Allowed 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.613 -0.934 . . . . 0.0 109.387 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.31 109.93 2.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.005 -1.059 . . . . 0.0 109.687 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -102.41 12.14 36.98 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.123 -0.985 . . . . 0.0 110.193 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.483 ' HG2' HH11 ' B' ' 63' ' ' ARG . 6.2 mmt-85 -122.17 23.76 9.73 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 177.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -149.13 151.88 35.15 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.1 t -106.78 60.79 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.168 -0.957 . . . . 0.0 109.036 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.79 158.08 43.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.241 -0.912 . . . . 0.0 109.927 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -129.6 134.32 47.65 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 2.8 t -96.47 122.16 39.08 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.24 -0.912 . . . . 0.0 110.979 -178.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.56 120.51 41.83 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.6 t -130.33 81.29 68.63 Favored Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 121.249 -0.907 . . . . 0.0 109.044 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -82.79 68.43 7.57 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.827 2.351 . . . . 0.0 112.373 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.496 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 45.5 t90 -68.24 135.27 91.29 Favored Pre-proline 0 N--CA 1.491 1.611 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.496 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 94.1 Cg_exo -39.68 149.05 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.358 1.372 . . . . 0.0 111.087 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.549 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 2.2 t30 -127.02 -59.56 1.25 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.381 -0.825 . . . . 0.0 109.077 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.13 126.31 36.17 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 30.5 t -80.36 108.75 14.23 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.697 -1.201 . . . . 0.0 108.145 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.1 mt -79.18 137.4 37.43 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.579 HG23 ' O ' ' B' ' 78' ' ' THR . 5.2 t -86.74 115.09 61.15 Favored Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.38 -0.825 . . . . 0.0 109.736 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -93.94 -46.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.047 0 C-N-CA 121.821 1.681 . . . . 0.0 113.464 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -121.29 -44.98 2.35 Favored 'General case' 0 N--CA 1.505 2.321 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.692 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 5.5 p90 -59.97 -50.14 74.92 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.329 -1.482 . . . . 0.0 113.402 -175.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.842 HD22 ' NH2' ' A' ' 41' ' ' ARG . 4.7 t-20 -70.26 -39.67 74.84 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.162 -1.586 . . . . 0.0 111.094 -178.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -60.04 -49.7 76.62 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.928 -1.108 . . . . 0.0 110.4 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.26 -41.78 93.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.418 -1.427 . . . . 0.0 109.819 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 71.3 p -71.78 -40.02 69.53 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.194 -0.941 . . . . 0.0 109.913 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -69.97 -40.03 75.62 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.964 -1.085 . . . . 0.0 109.236 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' GLN . . . . . 0.42 ' HB2' HE21 ' B' ' 87' ' ' GLN . 19.1 mt-30 -60.0 -41.08 91.3 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.909 -1.12 . . . . 0.0 108.508 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.16 -41.61 97.08 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.2 -0.938 . . . . 0.0 108.646 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.484 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.3 t90 -59.98 -50.05 75.29 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.444 -0.785 . . . . 0.0 109.302 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.53 -40.58 97.4 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.349 -0.845 . . . . 0.0 109.288 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -60.09 -44.64 94.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.359 -0.838 . . . . 0.0 110.491 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -60.02 -41.7 92.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.795 -1.19 . . . . 0.0 109.595 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 57.2 t -60.05 -42.04 88.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.11 -0.994 . . . . 0.0 108.925 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -59.96 -45.72 91.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.386 -0.821 . . . . 0.0 110.299 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -64.48 -40.02 94.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.961 -1.087 . . . . 0.0 109.931 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.85 -40.63 83.66 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 118.939 -1.104 . . . . 0.0 108.947 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 97' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 101' ' ' THR . 88.4 tt0 -60.97 -48.49 81.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.144 -0.973 . . . . 0.0 109.189 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.18 -41.61 97.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.408 -0.807 . . . . 0.0 109.52 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -66.03 -40.0 90.66 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.283 -0.886 . . . . 0.0 109.523 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 84.9 mt -69.09 -40.04 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.451 -0.781 . . . . 0.0 109.191 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 101' ' ' THR . . . . . 0.449 HG23 ' O ' ' B' ' 97' ' ' GLU . 34.4 p -62.37 -41.66 98.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.149 -0.969 . . . . 0.0 109.052 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.82 76.17 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.186 -0.946 . . . . 0.0 109.323 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.445 HD11 ' HE ' ' A' ' 23' ' ' ARG . 94.4 mt -60.94 -42.91 99.12 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.256 -0.903 . . . . 0.0 109.27 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.452 HD23 HD11 ' B' ' 18' ' ' LEU . 83.7 mt -59.95 -48.51 81.41 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.136 -0.978 . . . . 0.0 109.141 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.01 -48.57 81.18 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.075 -1.016 . . . . 0.0 109.303 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.76 -42.38 97.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.323 -0.861 . . . . 0.0 109.257 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.08 94.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.35 -0.844 . . . . 0.0 109.48 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.99 -46.29 89.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.159 -0.963 . . . . 0.0 109.479 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.07 -49.88 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.238 -0.914 . . . . 0.0 109.455 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -65.22 -40.09 93.66 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.316 -0.865 . . . . 0.0 109.738 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -60.02 -47.79 84.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.219 -0.925 . . . . 0.0 109.382 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.66 -42.1 99.43 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.119 -0.988 . . . . 0.0 109.387 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -61.11 -41.49 96.77 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.321 -0.862 . . . . 0.0 109.439 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -60.04 -48.78 80.3 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.155 -0.966 . . . . 0.0 108.992 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.1 -40.1 95.49 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.324 -0.86 . . . . 0.0 108.977 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -60.06 -47.95 83.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.386 -0.821 . . . . 0.0 108.914 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.68 -39.94 93.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.238 -0.914 . . . . 0.0 109.14 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.06 -43.08 95.67 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.444 -0.785 . . . . 0.0 109.466 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.546 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.8 mt-30 -60.81 -40.45 92.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.23 -0.919 . . . . 0.0 110.174 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -60.44 -39.77 88.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.003 -1.061 . . . . 0.0 108.963 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.15 -47.5 85.05 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -123.87 61.1 1.09 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.546 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.209 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -78.03 146.05 35.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.275 -0.89 . . . . 0.0 109.484 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 28.8 p -88.46 61.84 6.32 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 109.006 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -63.93 -40.01 95.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.476 -0.765 . . . . 0.0 109.261 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.406 HG22 ' H ' ' C' ' 5' ' ' THR . 0.1 OUTLIER -60.9 -41.79 96.78 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.161 -0.962 . . . . 0.0 109.005 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.96 -42.09 98.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.061 -1.024 . . . . 0.0 108.709 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 mt -60.36 -40.02 89.25 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.567 -0.708 . . . . 0.0 109.96 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.94 87.49 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.096 -1.003 . . . . 0.0 108.772 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.67 -46.36 54.58 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.02 -46.19 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.411 -1.052 . . . . 0.0 109.704 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.97 -44.41 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.036 -1.04 . . . . 0.0 108.813 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.05 -39.94 94.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.164 -0.96 . . . . 0.0 109.8 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.06 -41.96 93.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.201 -0.937 . . . . 0.0 109.2 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -60.32 -42.09 94.89 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.052 -1.03 . . . . 0.0 108.756 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.71 -43.54 98.66 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.449 -0.782 . . . . 0.0 109.055 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -60.07 -44.45 94.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.325 -0.859 . . . . 0.0 109.186 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.57 -41.93 98.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.311 -0.868 . . . . 0.0 109.533 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.463 HD11 HD23 ' C' ' 104' ' ' LEU . 63.6 tp -60.27 -42.77 96.1 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.322 -0.861 . . . . 0.0 109.207 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.95 -47.64 84.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.258 -0.901 . . . . 0.0 110.057 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.09 -41.1 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.078 -1.014 . . . . 0.0 109.688 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -41.71 86.94 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.442 -0.786 . . . . 0.0 108.972 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -62.12 -41.0 97.8 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.405 -0.81 . . . . 0.0 109.245 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.423 ' HE ' HD11 ' A' ' 103' ' ' LEU . 52.0 mtt-85 -61.89 -39.95 93.73 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.439 -0.788 . . . . 0.0 109.865 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.01 -40.1 88.12 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.007 -1.058 . . . . 0.0 109.455 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -60.02 -49.76 76.41 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.152 -0.967 . . . . 0.0 109.06 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.22 -41.86 97.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.958 . . . . 0.0 109.447 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.91 -41.03 95.34 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.349 -0.844 . . . . 0.0 109.025 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.38 -39.98 89.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.451 -0.781 . . . . 0.0 109.421 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.01 -40.45 89.3 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.156 -0.965 . . . . 0.0 109.468 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.499 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 95.9 mt -61.76 -41.66 97.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.145 -0.972 . . . . 0.0 109.542 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -63.62 -40.36 96.7 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.083 -1.01 . . . . 0.0 109.765 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 71.9 t -61.64 -39.95 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.248 -0.908 . . . . 0.0 109.164 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -60.08 -43.42 95.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.324 -0.86 . . . . 0.0 110.469 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.32 -49.98 72.67 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -59.94 -49.97 75.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.088 -1.242 . . . . 0.0 109.916 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.57 -39.99 93.11 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.183 -0.948 . . . . 0.0 109.685 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.432 ' C ' HD21 ' C' ' 37' ' ' ASN . 0.5 OUTLIER -60.02 -40.6 89.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.416 -0.803 . . . . 0.0 109.516 -179.724 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.42 -40.06 89.66 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.132 -0.98 . . . . 0.0 109.563 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -59.96 -40.57 89.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.102 -0.999 . . . . 0.0 109.719 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 81.5 p -60.11 -40.39 89.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.84 -1.162 . . . . 0.0 108.497 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.874 ' NH2' HD22 ' A' ' 82' ' ' ASN . 71.3 mtt180 -66.52 -40.04 88.94 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.96 -40.06 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.446 -0.784 . . . . 0.0 109.202 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 72.4 p -60.05 -39.97 87.78 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.86 -1.136 . . . . 0.0 108.5 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.44 95.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.206 -0.934 . . . . 0.0 108.924 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.05 -39.72 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.389 -0.82 . . . . 0.0 109.149 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.03 -39.98 87.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.258 -0.901 . . . . 0.0 110.044 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -62.59 -41.96 99.27 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.77 -1.206 . . . . 0.0 109.048 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.573 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 55.3 m-85 -65.76 -39.52 91.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.378 -0.826 . . . . 0.0 109.664 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.99 -39.55 86.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.976 -1.077 . . . . 0.0 108.767 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.95 -40.0 87.5 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -60.01 -39.93 87.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.319 -0.863 . . . . 0.0 109.225 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.673 ' NE2' ' N ' ' C' ' 52' ' ' GLN . 0.0 OUTLIER -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.755 -1.215 . . . . 0.0 109.058 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 53' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -59.28 -35.87 74.53 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.013 -1.054 . . . . 0.0 108.628 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.96 -40.06 87.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.395 -0.815 . . . . 0.0 108.862 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 66.1 mt -71.3 113.85 8.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.121 -0.987 . . . . 0.0 109.034 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -134.25 -71.15 0.5 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.549 -0.719 . . . . 0.0 109.396 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.93 88.13 1.66 Allowed 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -105.93 142.17 36.09 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.499 -0.751 . . . . 0.0 110.666 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 59' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 66.52 6.69 36.3 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.108 -1.597 . . . . 0.0 109.108 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 60' ' ' ALA . . . . . 0.56 ' HA ' ' HB1' ' A' ' 60' ' ' ALA . . . -72.57 22.94 0.06 Allowed 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.588 -0.948 . . . . 0.0 109.541 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 61' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.74 109.6 2.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.14 -0.975 . . . . 0.0 109.686 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -102.13 12.0 37.44 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.135 -0.978 . . . . 0.0 110.283 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 63' ' ' ARG . . . . . 0.494 ' HG2' HH11 ' C' ' 63' ' ' ARG . 6.3 mmt-85 -121.91 23.67 9.94 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 177.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -148.99 151.85 35.28 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.2 t -106.62 60.6 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.149 -0.969 . . . . 0.0 109.197 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.86 158.15 43.79 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.233 -0.917 . . . . 0.0 109.873 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -129.54 134.28 47.67 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 2.9 t -96.19 122.41 39.02 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.256 -0.902 . . . . 0.0 111.005 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.85 120.74 42.48 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -130.72 80.99 68.73 Favored Pre-proline 0 N--CA 1.498 1.939 0 O-C-N 121.283 -0.885 . . . . 0.0 108.993 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.61 68.43 7.65 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 122.854 2.369 . . . . 0.0 112.421 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.497 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 45.5 t90 -68.28 135.52 91.22 Favored Pre-proline 0 N--CA 1.491 1.584 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.497 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 95.7 Cg_exo -39.52 148.98 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.175 0 C-N-CA 121.383 1.388 . . . . 0.0 111.104 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 2.1 t30 -127.14 -59.46 1.24 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.371 -0.83 . . . . 0.0 109.053 -179.268 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.3 126.4 36.37 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 30.0 t -80.6 109.03 14.73 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.798 -1.189 . . . . 0.0 108.196 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 mt -79.54 137.31 37.13 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.583 HG23 ' O ' ' C' ' 78' ' ' THR . 5.2 t -86.69 115.15 61.31 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.316 -0.865 . . . . 0.0 109.74 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -93.83 -45.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.047 0 C-N-CA 121.892 1.728 . . . . 0.0 113.488 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -121.37 -44.96 2.35 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -177.054 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.681 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 5.5 p90 -60.08 -49.99 75.48 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.252 -1.53 . . . . 0.0 113.41 -175.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.843 HD22 ' NH2' ' B' ' 41' ' ' ARG . 4.6 t-20 -70.39 -39.77 74.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.144 -1.597 . . . . 0.0 111.164 -178.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -60.06 -49.51 77.38 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.974 -1.079 . . . . 0.0 110.408 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -65.33 -41.84 93.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.473 -1.392 . . . . 0.0 109.863 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 72.5 p -71.7 -39.89 69.89 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.118 -0.989 . . . . 0.0 109.836 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 36.2 t-105 -70.09 -39.97 75.26 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.942 -1.099 . . . . 0.0 109.17 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 87' ' ' GLN . . . . . 0.407 HE21 ' HB2' ' C' ' 87' ' ' GLN . 19.1 mt-30 -60.01 -40.98 91.11 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 118.849 -1.141 . . . . 0.0 108.573 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.5 -41.27 97.05 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.147 -0.971 . . . . 0.0 108.555 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.52 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 59.7 t90 -60.03 -49.95 75.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.461 -0.774 . . . . 0.0 109.343 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.67 -40.66 97.39 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.352 -0.842 . . . . 0.0 109.39 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -60.02 -44.54 94.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.425 -0.797 . . . . 0.0 110.496 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.01 -41.72 92.76 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.854 -1.154 . . . . 0.0 109.653 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 61.0 t -60.03 -42.13 88.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.152 -0.968 . . . . 0.0 108.947 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.92 -45.54 92.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.42 -0.8 . . . . 0.0 110.264 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -64.77 -39.89 94.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.008 -1.058 . . . . 0.0 109.895 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.16 -40.51 82.34 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 119.005 -1.078 . . . . 0.0 108.891 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 97' ' ' GLU . . . . . 0.439 ' O ' HG23 ' C' ' 101' ' ' THR . 88.3 tt0 -60.97 -48.74 80.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.128 -0.982 . . . . 0.0 109.09 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.83 -41.86 96.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.398 -0.814 . . . . 0.0 109.517 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -65.94 -40.07 91.04 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.318 -0.864 . . . . 0.0 109.414 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 85.2 mt -68.97 -40.36 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.331 -0.855 . . . . 0.0 109.24 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 101' ' ' THR . . . . . 0.439 HG23 ' O ' ' C' ' 97' ' ' GLU . 35.4 p -62.06 -41.53 98.24 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.159 -0.963 . . . . 0.0 109.264 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.8 76.25 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.296 -0.878 . . . . 0.0 109.261 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 103' ' ' LEU . . . . . 0.435 HD11 ' HE ' ' B' ' 23' ' ' ARG . 94.5 mt -61.12 -42.71 99.03 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.192 -0.943 . . . . 0.0 109.269 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 104' ' ' LEU . . . . . 0.463 HD23 HD11 ' C' ' 18' ' ' LEU . 83.6 mt -60.0 -48.63 80.91 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.149 -0.969 . . . . 0.0 109.088 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.04 -48.33 82.17 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.116 -0.99 . . . . 0.0 109.345 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.81 -42.83 98.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.255 -0.903 . . . . 0.0 109.216 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.19 93.75 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.324 -0.86 . . . . 0.0 109.437 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.95 -46.3 89.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.121 -0.987 . . . . 0.0 109.498 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.01 -49.8 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.33 -0.857 . . . . 0.0 109.351 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -65.39 -40.02 92.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.247 -0.908 . . . . 0.0 109.753 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.98 -47.11 87.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.307 -0.871 . . . . 0.0 109.476 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.74 -41.05 98.09 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.171 -0.956 . . . . 0.0 109.479 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -62.12 -41.18 97.98 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.319 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -59.96 -48.77 80.36 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.148 -0.97 . . . . 0.0 109.112 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.19 -40.22 95.63 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.291 -0.88 . . . . 0.0 108.919 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -59.99 -47.89 83.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.381 -0.825 . . . . 0.0 108.959 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.73 -40.08 93.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.182 -0.948 . . . . 0.0 109.09 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.02 -42.88 95.3 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.453 -0.779 . . . . 0.0 109.359 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.8 mt-30 -60.99 -40.84 95.04 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.272 -0.892 . . . . 0.0 110.049 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -59.97 -39.32 85.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.983 -1.073 . . . . 0.0 109.288 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.78 -47.47 85.56 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -123.77 61.32 1.08 Allowed 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.544 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.245 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.463 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 48.0 mt-30 -69.64 143.91 53.09 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.257 -0.902 . . . . 0.0 109.467 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -89.15 59.97 5.16 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.375 -0.828 . . . . 0.0 108.878 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -62.91 -40.11 96.58 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.331 -0.855 . . . . 0.0 109.023 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.54 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.5 t -61.49 -44.9 96.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.378 -0.826 . . . . 0.0 109.906 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.54 ' N ' HG23 ' A' ' 5' ' ' THR . 57.3 tp -60.34 -42.46 95.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.028 . . . . 0.0 109.231 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.5 mt -60.48 -39.95 89.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.424 -0.797 . . . . 0.0 109.888 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.08 87.74 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.82 -48.23 50.26 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.06 -47.74 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.24 -1.153 . . . . 0.0 109.664 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.93 -41.09 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.061 -1.025 . . . . 0.0 108.949 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -60.12 -40.2 88.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.529 -0.732 . . . . 0.0 109.536 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -59.92 -41.62 92.14 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.303 -0.873 . . . . 0.0 109.49 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -61.15 -41.03 96.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.953 -1.092 . . . . 0.0 109.11 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.14 -45.72 92.06 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.35 -0.844 . . . . 0.0 108.866 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -60.82 -43.38 98.3 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.297 -0.877 . . . . 0.0 109.663 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.81 -41.79 98.2 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.213 -0.929 . . . . 0.0 109.475 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.17 -43.61 95.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.163 -0.961 . . . . 0.0 109.244 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -60.29 -47.79 84.49 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.353 -0.842 . . . . 0.0 109.638 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.6 t -60.03 -40.4 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.973 -1.08 . . . . 0.0 109.95 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.05 -43.08 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.196 -0.94 . . . . 0.0 108.532 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -61.36 -40.78 95.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.388 -0.82 . . . . 0.0 109.176 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -60.59 -40.07 90.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.277 -0.89 . . . . 0.0 109.537 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.89 -40.29 92.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.04 -1.038 . . . . 0.0 109.724 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.01 -48.96 79.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.147 -0.971 . . . . 0.0 109.156 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.14 -43.53 95.63 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.309 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.1 -41.37 98.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.359 -0.838 . . . . 0.0 109.26 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.09 -40.36 89.35 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.501 -0.75 . . . . 0.0 109.358 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.4 -41.35 93.69 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.272 -0.892 . . . . 0.0 109.788 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.517 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 78.6 mt -64.36 -40.43 95.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.99 -1.069 . . . . 0.0 109.32 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.1 p -64.23 -40.24 95.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.181 -0.949 . . . . 0.0 109.574 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.06 -40.1 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.358 -0.839 . . . . 0.0 109.54 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -60.15 -41.88 93.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.322 -0.861 . . . . 0.0 109.805 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.17 -44.41 97.42 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -60.09 -49.99 75.47 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.173 -1.192 . . . . 0.0 109.385 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -63.11 -39.89 96.01 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.321 -0.862 . . . . 0.0 109.046 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.605 HD21 ' NH2' ' A' ' 41' ' ' ARG . 59.5 t-20 -60.03 -40.64 90.06 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.39 -0.819 . . . . 0.0 109.773 -178.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.63 -39.93 90.09 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.06 -1.025 . . . . 0.0 108.507 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.2 -40.61 90.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.163 -0.96 . . . . 0.0 109.388 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.4 p -60.73 -41.24 94.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.825 -1.172 . . . . 0.0 108.85 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.605 ' NH2' HD21 ' A' ' 37' ' ' ASN . 29.4 mtt-85 -65.6 -39.97 92.15 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.5 t -60.34 -42.37 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.574 -0.704 . . . . 0.0 109.319 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.5 p -60.12 -40.02 88.28 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.924 -1.11 . . . . 0.0 109.177 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.28 95.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.999 -1.063 . . . . 0.0 108.228 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.13 -38.66 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.759 -0.588 . . . . 0.0 109.904 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.99 -41.04 91.18 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.62 -46.07 91.66 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 119.803 -0.759 . . . . 0.0 109.204 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 45.8 m-85 -64.27 -39.98 95.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 110.193 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.502 HD23 ' NE2' ' A' ' 52' ' ' GLN . 82.5 mt -60.18 -41.08 92.15 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.724 -1.235 . . . . 0.0 109.118 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -60.28 -39.92 88.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.783 -1.198 . . . . 0.0 109.177 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.07 -37.91 81.27 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.501 -0.749 . . . . 0.0 109.143 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.515 ' OE1' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.23 -39.76 83.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 0.0 108.336 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.577 ' O ' ' ND2' ' A' ' 56' ' ' ASN . . . -59.66 -35.97 75.49 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.124 -0.985 . . . . 0.0 109.108 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.14 -39.77 83.45 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.395 -0.816 . . . . 0.0 108.838 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.6 mt -79.43 113.5 17.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.833 -1.167 . . . . 0.0 108.674 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 65.7 m-80 -132.98 -68.16 0.6 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.476 -0.765 . . . . 0.0 109.265 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.35 88.36 1.57 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.402 ' C ' ' H ' ' A' ' 60' ' ' ALA . 46.6 m95 -109.0 147.32 32.48 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.55 -0.718 . . . . 0.0 110.236 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.36 0.52 11.27 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.479 ' HB1' ' HA ' ' C' ' 60' ' ' ALA . . . -72.06 25.75 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.524 -0.986 . . . . 0.0 109.554 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.68 115.08 3.01 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.024 -1.048 . . . . 0.0 109.891 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -112.38 12.6 20.17 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 121.49 -0.756 . . . . 0.0 110.698 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.62 HH21 HH21 ' C' ' 63' ' ' ARG . 6.0 ptp180 -133.4 25.35 4.13 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.075 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -142.59 151.63 41.72 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 t -105.2 59.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.094 -1.004 . . . . 0.0 108.752 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.36 157.59 40.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.298 -0.876 . . . . 0.0 110.2 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -129.26 133.22 47.41 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 68' ' ' THR . 4.5 t -96.89 119.22 34.97 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.236 -0.915 . . . . 0.0 110.625 -177.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 69' ' ' THR . 6.8 t -117.14 120.73 39.21 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.57 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 81.9 t -126.07 91.04 48.93 Favored Pre-proline 0 N--CA 1.502 2.133 0 O-C-N 121.311 -0.868 . . . . 0.0 109.53 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -85.8 62.37 5.34 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.759 2.306 . . . . 0.0 112.363 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.524 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 55.7 t90 -69.98 130.31 90.03 Favored Pre-proline 0 N--CA 1.49 1.574 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.524 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 80.2 Cg_exo -40.46 146.67 0.28 Allowed 'Trans proline' 0 N--CA 1.488 1.181 0 C-N-CA 121.055 1.17 . . . . 0.0 111.176 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.515 ' ND2' ' OE1' ' A' ' 52' ' ' GLN . 10.3 t-20 -132.61 10.03 4.33 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.367 -0.833 . . . . 0.0 109.21 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.34 121.61 8.98 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.4 p -82.07 105.0 12.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.83 -1.169 . . . . 0.0 108.595 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.1 mt -82.14 137.22 35.02 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.444 ' OG1' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -88.24 113.57 55.71 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.132 -0.98 . . . . 0.0 109.448 179.216 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -95.02 -48.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.031 0 C-N-CA 121.587 1.525 . . . . 0.0 113.869 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.59 -46.91 2.12 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.208 -0.932 . . . . 0.0 112.926 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.686 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 7.5 p90 -60.06 -56.71 18.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.256 -1.527 . . . . 0.0 112.156 -176.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.686 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.5 OUTLIER -80.09 -36.4 35.54 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.421 -1.424 . . . . 0.0 109.597 -179.208 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -60.06 -49.88 75.91 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.07 -1.018 . . . . 0.0 109.384 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.56 -44.56 96.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.936 -1.103 . . . . 0.0 109.679 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 81' ' ' TRP . 66.8 p -63.54 -40.08 96.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.021 -1.049 . . . . 0.0 109.682 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.405 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 47.0 t-105 -61.78 -39.86 93.15 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.935 -1.103 . . . . 0.0 109.788 -179.187 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.23 -42.67 95.72 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.892 -1.13 . . . . 0.0 108.865 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.13 -43.16 95.88 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.547 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 72.0 t90 -60.0 -50.14 74.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.543 -0.723 . . . . 0.0 109.761 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -64.05 -40.4 96.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.095 -1.003 . . . . 0.0 109.641 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -64.81 -40.07 94.61 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.098 -1.001 . . . . 0.0 110.226 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.08 -41.88 93.42 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.783 -1.198 . . . . 0.0 109.156 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.85 -40.47 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.04 -1.037 . . . . 0.0 109.411 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.61 -41.47 94.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.128 -0.982 . . . . 0.0 110.6 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -69.86 -39.99 76.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.905 -1.122 . . . . 0.0 109.8 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.57 -40.42 92.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.217 -0.927 . . . . 0.0 109.668 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.27 -49.15 78.73 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.142 -0.974 . . . . 0.0 108.909 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.34 -43.25 96.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.393 -0.817 . . . . 0.0 109.405 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -63.17 -40.62 98.06 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.298 -0.876 . . . . 0.0 109.888 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 85.5 mt -66.32 -41.88 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.993 -1.067 . . . . 0.0 109.16 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.5 p -60.88 -41.3 95.72 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.095 -1.003 . . . . 0.0 109.263 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.01 -46.29 91.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.172 -0.955 . . . . 0.0 109.574 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.08 -44.49 96.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.382 -0.824 . . . . 0.0 109.751 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.15 -40.24 95.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.177 -0.952 . . . . 0.0 108.979 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.77 -41.9 96.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.205 -0.934 . . . . 0.0 109.628 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.16 -39.95 78.46 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.103 -0.998 . . . . 0.0 109.201 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.82 98.16 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.352 -0.842 . . . . 0.0 109.674 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.08 -48.06 83.31 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.138 -0.976 . . . . 0.0 109.194 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.14 -49.75 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.222 -0.924 . . . . 0.0 108.957 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -63.63 -40.89 98.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.588 -0.695 . . . . 0.0 109.802 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -60.12 -49.85 75.99 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.983 -1.073 . . . . 0.0 109.275 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -62.04 -40.62 96.38 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.424 -0.798 . . . . 0.0 109.714 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -64.57 -40.23 95.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.331 -0.856 . . . . 0.0 109.768 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -68.23 -40.46 82.03 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.985 -1.072 . . . . 0.0 109.514 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.88 -39.99 75.95 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.212 -0.93 . . . . 0.0 108.83 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' TYR . . . . . 0.589 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 64.9 t80 -60.33 -48.65 80.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.614 -0.679 . . . . 0.0 109.357 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.28 -40.0 92.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.133 -0.979 . . . . 0.0 109.587 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.23 -42.86 96.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.195 -0.94 . . . . 0.0 109.857 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.6 mt-30 -61.25 -40.16 93.01 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.11 -0.994 . . . . 0.0 110.036 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.589 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.2 mmtm -60.11 -39.59 86.72 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.227 -0.921 . . . . 0.0 109.277 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 98.8 mt -57.67 -47.34 82.58 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -124.16 60.58 1.13 Allowed 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.8 p . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.993 -1.003 . . . . 0.0 108.942 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.508 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 48.7 mt-30 -69.96 144.18 52.43 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.277 -0.889 . . . . 0.0 109.539 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -89.25 60.6 5.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.134 -0.978 . . . . 0.0 108.656 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.57 -39.97 95.76 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.405 -0.809 . . . . 0.0 109.006 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.554 HG23 ' N ' ' B' ' 6' ' ' LEU . 15.0 t -61.69 -44.85 96.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.579 -0.701 . . . . 0.0 109.806 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.554 ' N ' HG23 ' B' ' 5' ' ' THR . 55.9 tp -60.19 -42.62 95.43 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.053 -1.029 . . . . 0.0 108.927 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 59.7 mt -60.64 -39.89 89.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.326 -0.859 . . . . 0.0 109.875 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.0 87.33 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.915 -1.115 . . . . 0.0 108.113 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.79 -48.37 49.53 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.95 -47.56 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.214 -1.168 . . . . 0.0 109.621 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.14 -41.11 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.182 -0.949 . . . . 0.0 109.107 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -60.05 -40.21 88.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.445 -0.785 . . . . 0.0 109.222 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.05 -41.63 92.74 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.252 -0.905 . . . . 0.0 109.438 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -60.89 -41.22 95.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.073 -1.017 . . . . 0.0 109.168 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.94 -45.71 91.74 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.312 -0.867 . . . . 0.0 109.036 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -60.77 -43.37 98.12 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.372 -0.83 . . . . 0.0 109.574 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.99 -42.33 99.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.323 -0.861 . . . . 0.0 109.506 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.1 tp -59.94 -43.44 94.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.164 -0.96 . . . . 0.0 109.242 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.27 -47.62 85.23 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.299 -0.876 . . . . 0.0 109.776 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -60.35 -40.21 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.156 -0.965 . . . . 0.0 109.916 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.18 -42.39 90.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.277 -0.889 . . . . 0.0 108.844 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -62.17 -40.27 95.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.547 -0.72 . . . . 0.0 109.221 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -61.11 -40.05 92.31 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.818 . . . . 0.0 109.397 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.28 -39.98 92.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.084 -1.01 . . . . 0.0 109.511 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.0 -48.78 80.31 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.088 -1.008 . . . . 0.0 109.057 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.61 -43.6 97.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.242 -0.911 . . . . 0.0 109.348 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.78 -41.56 97.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.223 -0.923 . . . . 0.0 109.264 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.12 -40.12 88.61 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.516 -0.74 . . . . 0.0 109.323 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -60.48 -41.14 93.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 109.848 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.545 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 80.5 mt -64.53 -40.48 95.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.106 -0.996 . . . . 0.0 109.369 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 61.3 p -64.29 -40.05 95.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.174 -0.954 . . . . 0.0 109.529 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.3 -40.2 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.264 -0.897 . . . . 0.0 109.472 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -59.95 -42.1 93.3 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.215 -0.928 . . . . 0.0 109.93 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -44.75 96.92 Favored Glycine 0 N--CA 1.486 2.026 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 89.4 m -60.16 -50.01 75.35 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.124 -1.221 . . . . 0.0 109.115 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -62.91 -39.94 96.09 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.263 -0.898 . . . . 0.0 109.19 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.593 HD21 ' NH2' ' B' ' 41' ' ' ARG . 60.3 t-20 -59.99 -40.55 89.58 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.223 -0.923 . . . . 0.0 109.66 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.401 ' O ' HG23 ' B' ' 42' ' ' VAL . 89.2 mt -60.29 -40.05 89.08 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.921 -1.112 . . . . 0.0 108.653 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.02 -41.0 91.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.202 -0.936 . . . . 0.0 109.36 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 46.5 p -60.28 -41.54 93.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.021 -1.049 . . . . 0.0 108.935 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.593 ' NH2' HD21 ' B' ' 37' ' ' ASN . 28.4 mtt-85 -65.68 -40.05 91.95 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 38' ' ' LEU . 58.6 t -60.28 -42.2 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.539 -0.726 . . . . 0.0 109.464 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 51.1 p -60.0 -40.1 88.04 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.03 -1.044 . . . . 0.0 109.24 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.07 96.44 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.6 mt -63.09 -38.43 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.756 -0.59 . . . . 0.0 109.761 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.04 -41.24 91.85 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.29 -46.27 90.44 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.489 -0.757 . . . . 0.0 109.318 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.448 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 46.3 m-85 -63.86 -40.3 96.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.417 -0.802 . . . . 0.0 110.112 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.503 HD23 ' NE2' ' B' ' 52' ' ' GLN . 82.0 mt -60.06 -40.4 89.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.779 -1.2 . . . . 0.0 109.147 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.21 -39.84 91.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.748 -1.22 . . . . 0.0 109.012 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.03 -37.88 81.08 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.438 -0.789 . . . . 0.0 109.291 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.503 ' NE2' HD23 ' B' ' 49' ' ' LEU . 0.0 OUTLIER -59.22 -39.87 84.06 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.122 -0.986 . . . . 0.0 108.417 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.57 ' O ' ' ND2' ' B' ' 56' ' ' ASN . . . -59.42 -35.75 74.58 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.244 -0.91 . . . . 0.0 109.204 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.25 -40.04 84.72 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -79.41 113.57 17.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.914 -1.116 . . . . 0.0 108.677 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' B' ' 53' ' ' ALA . 64.9 m-80 -133.01 -68.79 0.58 Allowed 'General case' 0 N--CA 1.5 2.039 0 CA-C-O 121.571 0.7 . . . . 0.0 109.397 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.54 88.04 1.61 Allowed 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' TRP . . . . . 0.402 ' C ' ' H ' ' B' ' 60' ' ' ALA . 47.8 m95 -108.73 146.81 32.94 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.497 -0.752 . . . . 0.0 110.428 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.498 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.58 0.61 12.78 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.023 -1.631 . . . . 0.0 109.023 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.442 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -71.89 25.28 0.05 OUTLIER 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.472 -1.017 . . . . 0.0 109.43 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.46 115.31 3.11 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.825 -1.172 . . . . 0.0 109.946 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -112.78 12.44 19.57 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.607 -0.683 . . . . 0.0 110.604 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.555 HH21 HH21 ' C' ' 63' ' ' ARG . 5.9 ptp180 -132.91 25.3 4.3 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -142.61 151.77 41.83 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.7 t -105.38 59.35 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.004 -1.06 . . . . 0.0 108.582 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.12 157.34 40.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.0 110.207 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -129.22 133.49 47.56 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 4.4 t -97.18 119.58 35.94 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.198 -0.939 . . . . 0.0 110.497 -177.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.513 HG23 ' O ' ' B' ' 69' ' ' THR . 6.2 t -117.29 120.63 38.83 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.55 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 93.9 t -125.99 90.73 49.65 Favored Pre-proline 0 N--CA 1.503 2.185 0 O-C-N 121.371 -0.831 . . . . 0.0 109.658 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -85.51 62.43 5.61 Favored 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 122.455 2.104 . . . . 0.0 112.344 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.527 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 54.2 t90 -69.96 129.98 90.38 Favored Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.256 -0.903 . . . . 0.0 108.604 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.527 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 81.4 Cg_exo -40.09 146.71 0.24 Allowed 'Trans proline' 0 N--CA 1.49 1.302 0 C-N-CA 121.114 1.209 . . . . 0.0 111.113 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.5 ' ND2' ' OE1' ' B' ' 52' ' ' GLN . 10.5 t-20 -132.79 9.86 4.25 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.247 -0.908 . . . . 0.0 109.148 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.24 121.39 8.9 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 96.2 p -81.95 105.01 12.72 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.963 -1.086 . . . . 0.0 108.81 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 26.0 mt -82.36 137.18 34.83 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.442 ' OG1' ' CB ' ' B' ' 82' ' ' ASN . 0.0 OUTLIER -88.4 113.26 54.59 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.298 -0.876 . . . . 0.0 109.306 179.472 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -94.97 -47.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 121.664 1.576 . . . . 0.0 113.901 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -123.04 -46.51 2.08 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.285 -0.885 . . . . 0.0 112.932 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.694 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 7.8 p90 -60.4 -56.94 15.37 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.343 -1.473 . . . . 0.0 112.179 -176.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.694 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.5 OUTLIER -79.99 -36.59 35.78 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.461 -1.399 . . . . 0.0 109.618 -179.326 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -59.94 -49.59 77.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.069 -1.019 . . . . 0.0 109.553 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.81 -44.5 96.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.063 -1.023 . . . . 0.0 109.757 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.547 HG23 ' O ' ' B' ' 81' ' ' TRP . 66.8 p -63.34 -40.05 96.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.032 -1.042 . . . . 0.0 109.822 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' TRP . . . . . 0.407 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 47.0 t-105 -61.93 -40.02 94.06 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.064 -1.023 . . . . 0.0 109.576 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.13 -43.12 95.93 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.067 -1.053 . . . . 0.0 108.749 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.15 -42.76 95.6 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.517 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 71.8 t90 -60.05 -49.76 76.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.324 -0.86 . . . . 0.0 109.954 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -64.55 -40.4 95.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 109.486 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -64.24 -40.29 95.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.16 -0.963 . . . . 0.0 110.337 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -59.99 -42.11 93.51 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.823 -1.173 . . . . 0.0 109.145 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.59 -40.44 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.097 -1.002 . . . . 0.0 109.498 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.77 -41.21 95.08 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.106 -0.996 . . . . 0.0 110.514 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -69.9 -40.1 75.84 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.946 -1.096 . . . . 0.0 109.78 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.68 -40.33 92.25 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.153 -0.967 . . . . 0.0 109.617 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.17 -49.13 78.85 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.078 -1.014 . . . . 0.0 109.122 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.31 -43.31 96.47 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.355 -0.841 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -63.27 -40.37 97.21 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.299 -0.876 . . . . 0.0 109.984 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 86.6 mt -66.55 -41.5 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.143 -0.973 . . . . 0.0 109.123 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 24.2 p -61.59 -40.48 94.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.085 -1.009 . . . . 0.0 109.168 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.74 92.32 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.242 -0.911 . . . . 0.0 109.545 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.66 -43.46 98.76 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.186 -0.946 . . . . 0.0 109.913 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.24 -40.13 96.56 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.081 -1.012 . . . . 0.0 108.988 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.37 -42.25 95.44 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.254 -0.904 . . . . 0.0 109.522 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -68.88 -39.99 79.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.081 -1.012 . . . . 0.0 109.233 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.97 97.82 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.375 -0.828 . . . . 0.0 109.501 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.16 -48.09 83.19 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.174 -0.954 . . . . 0.0 109.149 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.19 -49.34 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.113 -0.992 . . . . 0.0 109.254 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -64.13 -40.47 96.25 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.372 -0.83 . . . . 0.0 109.956 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.24 -50.0 75.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.018 -1.051 . . . . 0.0 109.413 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.59 -40.97 96.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.336 -0.853 . . . . 0.0 109.607 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -64.56 -40.09 94.94 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.276 -0.89 . . . . 0.0 109.944 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -68.02 -40.59 82.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.022 -1.049 . . . . 0.0 109.606 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -69.72 -40.36 76.3 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.206 -0.934 . . . . 0.0 108.906 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 116' ' ' TYR . . . . . 0.581 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 64.9 t80 -59.76 -49.28 78.35 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.624 -0.672 . . . . 0.0 109.409 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.72 -40.31 91.85 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.167 -0.958 . . . . 0.0 109.69 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.04 -42.89 95.43 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.285 -0.885 . . . . 0.0 110.062 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.6 mt-30 -61.18 -40.21 93.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.048 -1.032 . . . . 0.0 110.067 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 120' ' ' LYS . . . . . 0.581 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.2 mmtm -60.03 -39.3 85.42 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.014 -1.054 . . . . 0.0 109.398 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 98.9 mt -58.21 -46.94 84.95 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -124.12 60.48 1.13 Allowed 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.465 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.8 p . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.093 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 1' ' ' ALA . . . . . 0.553 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 2' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 48.5 mt-30 -69.78 144.28 52.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.262 -0.899 . . . . 0.0 109.626 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -89.37 60.61 5.32 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 0.0 108.772 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -63.39 -39.97 95.95 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.323 -0.861 . . . . 0.0 109.006 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.549 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.8 t -61.68 -45.01 95.81 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.557 -0.714 . . . . 0.0 109.829 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.549 ' N ' HG23 ' C' ' 5' ' ' THR . 55.5 tp -60.46 -41.74 94.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.116 -0.99 . . . . 0.0 109.102 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 59.6 mt -61.17 -39.85 91.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.45 -0.781 . . . . 0.0 109.827 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.02 87.41 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.17 -47.8 50.68 Favored Glycine 0 N--CA 1.486 2.026 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.14 -47.52 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.268 -1.137 . . . . 0.0 109.604 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.12 -41.26 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.265 -0.897 . . . . 0.0 108.974 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -60.11 -40.12 88.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.621 -0.674 . . . . 0.0 109.436 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -60.16 -41.53 93.02 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.354 -0.841 . . . . 0.0 109.419 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -61.24 -40.91 95.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.081 -1.012 . . . . 0.0 109.182 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -60.25 -45.26 93.87 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.38 -0.825 . . . . 0.0 108.857 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -61.53 -42.56 99.0 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.342 -0.849 . . . . 0.0 109.491 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.56 -42.01 99.27 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.143 -0.973 . . . . 0.0 109.463 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.2 -43.27 96.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.129 -0.982 . . . . 0.0 109.097 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.11 -47.91 83.93 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.394 -0.816 . . . . 0.0 109.752 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -60.16 -40.53 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.254 -0.903 . . . . 0.0 109.754 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.27 -42.09 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.029 -1.044 . . . . 0.0 108.767 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -62.18 -40.45 96.08 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -60.79 -40.34 92.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.59 -40.33 91.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.008 -1.057 . . . . 0.0 109.757 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.04 -48.89 79.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.192 -0.942 . . . . 0.0 108.985 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.41 -43.34 96.81 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.203 -0.936 . . . . 0.0 109.516 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.0 tp -62.54 -40.95 98.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.162 -0.961 . . . . 0.0 109.181 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.16 -40.23 89.19 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.465 -0.772 . . . . 0.0 109.231 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -60.35 -41.83 94.49 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.276 -0.89 . . . . 0.0 109.714 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.547 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 79.7 mt -63.9 -40.57 96.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.139 -0.975 . . . . 0.0 109.215 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 59.2 p -64.05 -40.02 95.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.139 -0.975 . . . . 0.0 109.66 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.41 -40.09 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.444 -0.785 . . . . 0.0 109.643 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -60.09 -41.87 93.42 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.339 -0.85 . . . . 0.0 109.807 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.26 -44.69 97.22 Favored Glycine 0 N--CA 1.487 2.053 0 C-N-CA 119.351 -1.405 . . . . 0.0 109.681 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 85.5 m -60.02 -49.94 75.69 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.153 -1.204 . . . . 0.0 109.269 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -63.07 -39.82 95.84 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.213 -0.93 . . . . 0.0 109.054 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.567 HD21 ' NH2' ' C' ' 41' ' ' ARG . 60.4 t-20 -60.12 -40.57 90.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.279 -0.888 . . . . 0.0 109.641 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.36 -39.9 88.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.07 -1.019 . . . . 0.0 108.701 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.06 -40.76 90.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 109.428 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 44.7 p -60.91 -41.33 95.91 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.897 -1.127 . . . . 0.0 108.857 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.567 ' NH2' HD21 ' C' ' 37' ' ' ASN . 28.9 mtt-85 -65.56 -39.99 92.32 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.54 -42.12 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.53 -0.731 . . . . 0.0 109.487 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 48.2 p -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.876 -1.14 . . . . 0.0 109.059 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.49 97.39 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.75 -39.04 83.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.712 -0.617 . . . . 0.0 109.781 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.91 -41.18 91.12 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.35 -45.91 91.8 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.163 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.45 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 45.8 m-85 -64.27 -40.02 95.11 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.554 -0.716 . . . . 0.0 110.229 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 49' ' ' LEU . . . . . 0.494 HD23 ' NE2' ' C' ' 52' ' ' GLN . 83.6 mt -60.04 -41.43 92.23 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.655 -1.278 . . . . 0.0 109.166 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -60.23 -39.98 88.6 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.751 -1.218 . . . . 0.0 109.206 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.97 -37.74 80.49 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.437 -0.79 . . . . 0.0 109.168 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.519 ' OE1' ' ND2' ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.71 -39.43 84.6 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.035 -1.041 . . . . 0.0 108.504 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 53' ' ' ALA . . . . . 0.566 ' O ' ' ND2' ' C' ' 56' ' ' ASN . . . -60.02 -35.67 75.58 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.176 -0.952 . . . . 0.0 108.998 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.15 -39.92 83.94 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.357 -0.84 . . . . 0.0 108.957 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 85.8 mt -79.53 113.7 17.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.871 -1.143 . . . . 0.0 108.627 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 56' ' ' ASN . . . . . 0.566 ' ND2' ' O ' ' C' ' 53' ' ' ALA . 65.2 m-80 -133.15 -68.69 0.58 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.465 -0.772 . . . . 0.0 109.217 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.64 88.01 1.6 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -108.52 146.99 32.37 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.489 -0.757 . . . . 0.0 110.472 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 59' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.86 0.69 14.71 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 60' ' ' ALA . . . . . 0.479 ' HA ' ' HB1' ' A' ' 60' ' ' ALA . . . -72.27 25.51 0.05 Allowed 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.526 -0.985 . . . . 0.0 109.622 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 61' ' ' ALA . . . . . 0.491 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.62 115.64 3.11 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.037 -1.04 . . . . 0.0 109.969 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -112.85 12.54 19.5 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.658 -0.651 . . . . 0.0 110.503 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 63' ' ' ARG . . . . . 0.62 HH21 HH21 ' A' ' 63' ' ' ARG . 5.8 ptp180 -133.17 24.98 4.21 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -142.04 151.89 42.85 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 t -105.52 59.15 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.133 -0.979 . . . . 0.0 108.726 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.27 157.58 40.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.341 -0.849 . . . . 0.0 110.079 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -129.4 133.26 47.28 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -96.61 119.4 35.02 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.218 -0.926 . . . . 0.0 110.636 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 69' ' ' THR . . . . . 0.498 HG23 ' O ' ' C' ' 69' ' ' THR . 6.3 t -117.01 120.46 38.45 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.559 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 87.5 t -126.04 90.83 49.41 Favored Pre-proline 0 N--CA 1.503 2.203 0 O-C-N 121.244 -0.91 . . . . 0.0 109.489 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -85.72 62.59 5.45 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.569 2.18 . . . . 0.0 112.177 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.518 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 52.7 t90 -69.98 130.05 90.28 Favored Pre-proline 0 N--CA 1.492 1.662 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.518 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 82.6 Cg_exo -40.55 146.88 0.27 Allowed 'Trans proline' 0 N--CA 1.489 1.213 0 C-N-CA 120.976 1.118 . . . . 0.0 111.213 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.519 ' ND2' ' OE1' ' C' ' 52' ' ' GLN . 10.7 t-20 -132.9 10.07 4.22 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.307 -0.871 . . . . 0.0 109.135 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.38 121.54 8.92 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 94.3 p -82.09 105.19 12.99 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.814 -1.178 . . . . 0.0 108.724 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 25.3 mt -82.51 137.48 34.61 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.446 ' OG1' ' CB ' ' C' ' 82' ' ' ASN . 0.0 OUTLIER -88.43 113.13 54.04 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.315 -0.866 . . . . 0.0 109.522 179.274 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -95.11 -47.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.005 0 C-N-CA 121.618 1.545 . . . . 0.0 113.967 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -122.78 -46.72 2.1 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.309 -0.869 . . . . 0.0 112.911 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.697 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 8.0 p90 -60.35 -56.62 19.21 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.314 -1.491 . . . . 0.0 112.276 -176.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.697 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.5 OUTLIER -80.19 -36.47 34.89 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.406 -1.434 . . . . 0.0 109.507 -179.18 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.01 -49.61 77.0 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.949 -1.095 . . . . 0.0 109.644 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.98 -44.39 97.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.051 -1.031 . . . . 0.0 109.669 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.555 HG23 ' O ' ' C' ' 81' ' ' TRP . 67.8 p -63.65 -40.05 95.89 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.255 -0.978 . . . . 0.0 109.925 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 86' ' ' TRP . . . . . 0.404 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 47.4 t-105 -61.86 -40.08 94.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.117 -0.989 . . . . 0.0 109.57 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.16 -42.68 95.43 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.81 -1.181 . . . . 0.0 108.783 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.02 -42.92 95.37 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.545 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 71.7 t90 -60.11 -49.83 76.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.565 -0.709 . . . . 0.0 109.86 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.41 -40.11 95.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.146 -0.971 . . . . 0.0 109.536 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -65.18 -40.03 93.69 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.219 -0.926 . . . . 0.0 110.217 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -59.96 -42.05 93.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.8 -1.188 . . . . 0.0 109.093 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.64 -40.5 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.983 -1.073 . . . . 0.0 109.522 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.41 -41.39 93.83 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.108 -0.995 . . . . 0.0 110.663 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -70.04 -40.05 75.38 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.024 -1.048 . . . . 0.0 109.571 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 98.0 mt -65.57 -40.84 93.24 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.177 -0.952 . . . . 0.0 109.478 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.1 -48.96 79.55 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.087 -1.008 . . . . 0.0 109.194 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.34 -43.11 96.76 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.268 -0.895 . . . . 0.0 109.395 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -63.17 -40.82 98.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.328 -0.858 . . . . 0.0 109.828 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 88.8 mt -65.88 -42.09 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 120.943 -1.098 . . . . 0.0 109.228 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 24.9 p -61.27 -40.8 95.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.042 -1.036 . . . . 0.0 109.293 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.16 -46.47 90.39 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.359 -0.838 . . . . 0.0 109.669 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.41 -44.02 97.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.277 -0.889 . . . . 0.0 109.819 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.55 -40.12 95.79 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.155 -0.966 . . . . 0.0 109.021 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.57 -42.02 95.78 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.362 -0.836 . . . . 0.0 109.663 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.25 -40.04 78.09 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.3 -0.875 . . . . 0.0 109.183 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.74 98.27 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.262 -0.899 . . . . 0.0 109.743 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.22 -48.1 83.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.195 -0.941 . . . . 0.0 108.97 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.15 -50.04 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.255 -0.903 . . . . 0.0 109.069 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -63.39 -40.84 98.32 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.278 -0.889 . . . . 0.0 109.939 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.08 -49.97 75.54 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.015 -1.053 . . . . 0.0 109.202 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -61.62 -41.04 96.92 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.282 -0.886 . . . . 0.0 109.726 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -64.63 -40.05 94.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.15 -0.969 . . . . 0.0 109.787 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -68.04 -40.63 82.82 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.027 -1.045 . . . . 0.0 109.387 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.48 -40.18 77.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.056 -1.028 . . . . 0.0 108.877 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 116' ' ' TYR . . . . . 0.569 ' CZ ' ' NZ ' ' C' ' 120' ' ' LYS . 65.5 t80 -59.98 -48.63 80.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.622 -0.674 . . . . 0.0 109.61 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.27 -40.26 93.42 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.136 -0.978 . . . . 0.0 109.512 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.94 -43.44 94.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.851 . . . . 0.0 109.995 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.6 mt-30 -60.89 -40.15 91.98 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.045 -1.034 . . . . 0.0 110.243 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 120' ' ' LYS . . . . . 0.569 ' NZ ' ' CZ ' ' C' ' 116' ' ' TYR . 39.5 mmtm -60.0 -38.85 83.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.089 -1.007 . . . . 0.0 109.657 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 98.5 mt -58.5 -46.98 85.61 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -124.41 60.65 1.15 Allowed 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.473 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.9 p . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.088 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.288 0.566 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.29 144.38 51.76 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.309 -0.869 . . . . 0.0 109.32 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -90.41 59.6 4.39 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.113 -0.992 . . . . 0.0 109.624 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -63.56 -39.95 95.72 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.9 t -59.99 -42.75 94.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.3 -0.875 . . . . 0.0 109.706 -179.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.497 ' N ' HG23 ' A' ' 5' ' ' THR . 64.6 tp -60.02 -41.55 92.43 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.7 -38.49 91.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.695 -0.628 . . . . 0.0 109.468 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.02 87.4 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.12 -0.988 . . . . 0.0 108.677 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.8 -45.22 59.08 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.8 mt -60.0 -48.35 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.308 -1.113 . . . . 0.0 109.876 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.0 -43.89 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.09 -1.006 . . . . 0.0 109.492 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.19 -39.98 96.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.335 -0.853 . . . . 0.0 109.993 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -59.96 -40.7 89.94 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.162 -0.961 . . . . 0.0 109.111 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -61.84 -40.29 94.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.05 -1.031 . . . . 0.0 109.405 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -59.89 -46.11 90.39 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.367 -0.833 . . . . 0.0 109.402 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -59.94 -43.74 94.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.378 -0.826 . . . . 0.0 109.453 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.8 mt -60.88 -42.19 97.44 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.334 -0.853 . . . . 0.0 109.085 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.463 HD11 HD23 ' A' ' 104' ' ' LEU . 47.1 tp -60.86 -43.74 97.97 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.331 -0.856 . . . . 0.0 108.818 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.404 ' OD1' ' NE ' ' A' ' 23' ' ' ARG . 7.4 t0 -60.03 -47.43 85.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.194 -0.942 . . . . 0.0 109.825 -179.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.7 -41.87 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.042 -1.036 . . . . 0.0 109.046 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.06 -46.07 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.435 -0.791 . . . . 0.0 109.153 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.92 -41.75 92.43 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' A' ' 23' ' ' ARG . 53.9 mtt-85 -60.55 -39.97 89.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.297 -0.877 . . . . 0.0 109.58 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.68 -39.99 90.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.154 -0.966 . . . . 0.0 109.401 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -60.06 -46.84 88.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.126 -0.984 . . . . 0.0 109.06 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.57 -40.1 88.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.191 -0.943 . . . . 0.0 109.269 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.3 -40.56 97.68 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.206 -0.934 . . . . 0.0 109.462 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.41 HD13 HD23 ' C' ' 27' ' ' LEU . 28.6 mt -60.27 -40.28 89.79 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.328 -0.857 . . . . 0.0 109.694 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.91 -40.11 91.91 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.126 -0.984 . . . . 0.0 109.329 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.57 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 96.5 mt -61.92 -41.02 97.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.164 -0.96 . . . . 0.0 109.763 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.4 p -66.67 -40.05 88.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.092 -1.005 . . . . 0.0 109.676 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.59 -40.04 83.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.433 -0.792 . . . . 0.0 109.177 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -59.96 -43.91 94.76 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.204 -0.935 . . . . 0.0 109.724 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -47.75 89.49 Favored Glycine 0 N--CA 1.486 2.03 0 C-N-CA 119.273 -1.441 . . . . 0.0 109.829 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.04 -49.98 75.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.992 -1.299 . . . . 0.0 110.074 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.28 -40.02 94.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.111 -0.993 . . . . 0.0 109.752 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.663 HD21 HH21 ' A' ' 41' ' ' ARG . 54.6 t-20 -60.08 -40.58 90.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.291 -0.881 . . . . 0.0 109.784 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.29 -40.0 94.83 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.122 -0.986 . . . . 0.0 109.967 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.05 -41.68 92.86 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.042 -1.036 . . . . 0.0 109.394 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.6 p -60.22 -40.04 88.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.957 -1.089 . . . . 0.0 108.858 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.663 HH21 HD21 ' A' ' 37' ' ' ASN . 34.0 mtt-85 -67.21 -39.98 86.36 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.03 -42.58 90.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.341 -0.849 . . . . 0.0 109.189 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.8 p -60.01 -40.13 88.23 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.089 -1.007 . . . . 0.0 109.866 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.51 95.97 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.098 -1.001 . . . . 0.0 108.486 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.5 mt -60.85 -39.44 81.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.696 -0.627 . . . . 0.0 109.683 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -60.06 -40.53 89.78 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.174 -0.954 . . . . 0.0 109.038 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -60.13 -46.48 89.5 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.486 -0.759 . . . . 0.0 109.675 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 61.5 m-85 -65.62 -38.18 88.71 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.19 -0.944 . . . . 0.0 109.816 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.92 -40.04 87.51 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.976 -1.078 . . . . 0.0 108.782 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -59.98 -40.02 87.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.85 -1.156 . . . . 0.0 107.98 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -59.9 -40.07 87.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.392 -0.817 . . . . 0.0 108.844 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.495 ' OE1' ' N ' ' A' ' 53' ' ' ALA . 4.9 tm0? -59.87 -40.06 87.39 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.086 -1.009 . . . . 0.0 109.015 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.495 ' N ' ' OE1' ' A' ' 52' ' ' GLN . . . -60.01 -33.93 72.67 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.074 -1.016 . . . . 0.0 108.769 179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -59.13 -40.06 84.29 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.4 mt -77.19 116.83 18.15 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -131.67 -70.05 0.59 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.249 -0.907 . . . . 0.0 109.925 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.12 87.67 1.62 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 0.0 108.841 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.432 ' CD1' ' N ' ' A' ' 58' ' ' TRP . 35.4 m95 -101.29 125.68 47.95 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.682 -0.636 . . . . 0.0 109.653 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 112.72 -5.16 26.06 Favored Glycine 0 N--CA 1.501 2.985 0 O-C-N 121.215 -0.928 . . . . 0.0 112.491 177.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.56 25.6 0.25 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.061 -1.846 . . . . 0.0 108.88 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.533 ' O ' ' CE1' ' B' ' 62' ' ' PHE . . . -93.46 101.58 13.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.499 -0.751 . . . . 0.0 109.751 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.534 ' CE1' ' O ' ' C' ' 61' ' ' ALA . 13.3 m-85 -106.85 7.18 30.02 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.912 -1.118 . . . . 0.0 109.235 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -158.87 24.95 0.22 Allowed 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -143.28 151.2 40.27 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.446 -0.784 . . . . 0.0 109.954 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.6 t -110.8 57.6 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 177.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.39 159.85 44.05 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.747 -0.596 . . . . 0.0 109.699 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -120.81 133.79 55.31 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.64 -0.662 . . . . 0.0 109.223 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 68' ' ' THR . 8.2 t -94.86 119.8 34.02 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.222 -0.924 . . . . 0.0 110.117 -178.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 69' ' ' THR . 9.4 t -112.37 121.47 44.95 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.43 97.51 50.19 Favored Pre-proline 0 N--CA 1.499 1.983 0 O-C-N 121.441 -0.787 . . . . 0.0 109.45 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -81.35 66.73 8.65 Favored 'Trans proline' 0 N--CA 1.49 1.271 0 C-N-CA 122.157 1.905 . . . . 0.0 112.184 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.456 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 19.6 t90 -69.2 129.44 91.95 Favored Pre-proline 0 N--CA 1.49 1.547 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -38.04 148.9 0.08 OUTLIER 'Trans proline' 0 N--CA 1.488 1.204 0 C-N-CA 121.507 1.471 . . . . 0.0 111.543 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.488 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 17.2 t-20 -128.28 -59.16 1.18 Allowed 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.06 125.19 34.44 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.8 p -80.24 109.98 15.23 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 118.854 -1.139 . . . . 0.0 108.229 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.3 mt -79.7 137.12 36.96 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.81 0.814 . . . . 0.0 110.075 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 78' ' ' THR . 5.2 t -87.68 114.75 60.39 Favored Pre-proline 0 N--CA 1.491 1.597 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -91.27 -47.42 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.133 0 C-N-CA 121.699 1.599 . . . . 0.0 114.058 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -121.61 -44.34 2.34 Favored 'General case' 0 N--CA 1.504 2.233 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -177.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.3 p90 -59.98 -50.13 74.96 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.321 -1.487 . . . . 0.0 112.418 -175.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.623 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.9 t30 -72.45 -43.44 63.75 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.151 -1.593 . . . . 0.0 110.368 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -60.0 -49.74 76.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.007 -1.058 . . . . 0.0 110.841 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.01 -42.21 94.65 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.697 -1.252 . . . . 0.0 109.746 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 81' ' ' TRP . 74.6 p -70.05 -40.0 75.38 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.23 -0.919 . . . . 0.0 109.585 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.2 t-105 -67.94 -39.91 83.39 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.292 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -60.07 -40.39 89.36 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.664 -1.273 . . . . 0.0 108.238 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.02 -40.08 94.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.986 -1.071 . . . . 0.0 108.524 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.549 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 74.6 t90 -59.91 -49.84 76.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.513 -0.742 . . . . 0.0 110.109 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -64.56 -40.91 96.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.155 -0.966 . . . . 0.0 109.81 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -61.94 -42.18 98.82 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.967 -1.083 . . . . 0.0 110.377 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -60.05 -43.22 95.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.772 -1.205 . . . . 0.0 109.525 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.56 -42.3 91.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.267 -0.896 . . . . 0.0 109.42 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.2 -40.06 88.72 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.3 -0.875 . . . . 0.0 111.118 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -69.07 -40.0 78.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.791 -1.193 . . . . 0.0 109.39 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.49 -39.96 85.21 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.203 -0.936 . . . . 0.0 109.889 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 101' ' ' THR . 96.8 mt-10 -67.22 -40.03 86.35 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.789 -1.195 . . . . 0.0 109.851 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -68.15 -39.92 82.54 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.186 -0.946 . . . . 0.0 109.575 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -68.05 -40.04 82.88 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.37 -0.831 . . . . 0.0 109.741 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.16 -40.87 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.139 -0.976 . . . . 0.0 109.667 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 97' ' ' GLU . 41.1 p -64.08 -40.54 96.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.038 -1.039 . . . . 0.0 109.361 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -49.15 78.7 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.301 -0.874 . . . . 0.0 109.735 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.09 -41.66 99.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.102 -0.999 . . . . 0.0 109.823 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.463 HD23 HD11 ' A' ' 18' ' ' LEU . 84.7 mt -61.38 -41.28 96.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.091 -1.006 . . . . 0.0 109.618 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -64.59 -42.94 95.25 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.104 -0.998 . . . . 0.0 109.193 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.14 -40.46 96.22 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.41 -0.807 . . . . 0.0 109.755 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.24 95.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.32 -0.862 . . . . 0.0 109.687 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -59.92 -49.96 75.64 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.188 -0.945 . . . . 0.0 109.637 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.12 -47.12 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.307 -0.871 . . . . 0.0 109.245 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -69.46 -40.1 77.34 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.494 -0.754 . . . . 0.0 110.578 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -59.97 -45.95 91.03 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.952 -1.092 . . . . 0.0 109.679 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.87 -39.99 95.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.104 -0.997 . . . . 0.0 109.506 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -65.65 -40.01 92.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.239 -0.913 . . . . 0.0 109.83 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -60.06 -41.42 92.32 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.008 -1.057 . . . . 0.0 109.649 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' A' ' 115' ' ' MET . 12.4 tmm? -70.03 -40.56 75.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.972 -1.08 . . . . 0.0 109.137 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -62.02 -44.45 96.68 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.392 -0.817 . . . . 0.0 109.184 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.36 -39.96 89.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.369 -0.832 . . . . 0.0 109.202 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.01 -40.92 90.92 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.38 -39.86 95.67 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.374 -0.829 . . . . 0.0 109.626 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -59.51 -34.4 72.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.93 . . . . 0.0 109.58 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 121' ' ' LEU . 87.6 mt -57.44 -48.87 78.02 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.077 -1.049 . . . . 0.0 108.5 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -143.71 65.83 1.3 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.145 -0.972 . . . . 0.0 109.88 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.037 179.357 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.43 144.52 51.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.335 -0.853 . . . . 0.0 109.309 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -90.46 59.57 4.36 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.235 -0.916 . . . . 0.0 109.649 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -63.7 -39.94 95.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.157 -0.964 . . . . 0.0 108.704 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.514 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.9 t -60.0 -42.81 95.06 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.36 -0.838 . . . . 0.0 109.777 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.514 ' N ' HG23 ' B' ' 5' ' ' THR . 64.0 tp -60.02 -41.47 92.25 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.77 -38.45 91.02 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.96 87.85 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.155 -0.965 . . . . 0.0 108.594 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.78 -45.23 59.13 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 93.3 mt -59.97 -48.38 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.32 -1.106 . . . . 0.0 109.788 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.95 -44.11 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.03 -1.044 . . . . 0.0 109.355 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -62.97 -39.98 96.32 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.299 -0.876 . . . . 0.0 110.028 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -60.02 -40.67 90.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.128 -0.983 . . . . 0.0 109.146 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -61.89 -40.31 94.96 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.134 -0.979 . . . . 0.0 109.373 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -59.96 -45.94 91.02 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.266 -0.896 . . . . 0.0 109.444 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.02 -43.77 95.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.42 -0.8 . . . . 0.0 109.516 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.71 -42.62 97.61 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.187 -0.946 . . . . 0.0 109.018 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.462 HD11 HD23 ' B' ' 104' ' ' LEU . 46.1 tp -60.49 -43.64 96.81 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.417 -0.802 . . . . 0.0 108.952 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -60.02 -47.42 85.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.264 -0.898 . . . . 0.0 109.873 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.01 -41.76 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.999 -1.063 . . . . 0.0 109.021 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -46.01 94.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.428 -0.795 . . . . 0.0 109.091 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.06 -41.76 93.03 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.422 HH11 ' HG2' ' B' ' 23' ' ' ARG . 53.7 mtt-85 -60.49 -39.98 89.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -0.85 . . . . 0.0 109.545 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.67 -40.0 90.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.185 -0.947 . . . . 0.0 109.444 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -59.95 -46.63 88.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.108 -0.995 . . . . 0.0 109.233 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.81 -39.99 87.92 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.142 -0.974 . . . . 0.0 109.342 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.43 -40.19 96.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.311 -0.868 . . . . 0.0 109.474 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 mt -60.56 -40.5 91.83 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.402 -0.811 . . . . 0.0 109.616 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.74 -40.18 91.43 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.094 -1.004 . . . . 0.0 109.354 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.555 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 97.2 mt -61.88 -40.99 97.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.227 -0.921 . . . . 0.0 109.712 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.8 p -66.84 -40.06 87.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.148 -0.97 . . . . 0.0 109.679 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -60.5 -40.1 83.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.309 -0.869 . . . . 0.0 109.076 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -59.98 -43.95 94.8 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.243 -0.91 . . . . 0.0 109.724 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -47.51 90.68 Favored Glycine 0 N--CA 1.488 2.137 0 C-N-CA 119.364 -1.398 . . . . 0.0 109.832 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.17 -50.02 75.32 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.021 -1.282 . . . . 0.0 110.158 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.27 -39.98 94.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.015 -1.053 . . . . 0.0 109.689 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.644 HD21 HH21 ' B' ' 41' ' ' ARG . 54.5 t-20 -60.07 -40.87 91.0 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.272 -0.892 . . . . 0.0 109.685 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 85.7 mt -62.17 -39.86 94.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.087 -1.008 . . . . 0.0 110.0 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.04 -41.59 92.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.057 -1.027 . . . . 0.0 109.46 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 69.3 p -60.2 -40.16 89.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.977 -1.077 . . . . 0.0 108.859 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.644 HH21 HD21 ' B' ' 37' ' ' ASN . 34.4 mtt-85 -67.1 -40.1 86.84 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -42.67 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.3 -0.875 . . . . 0.0 109.131 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 70.6 p -60.05 -40.29 88.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.068 -1.02 . . . . 0.0 109.763 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.27 -42.29 95.07 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.114 -0.991 . . . . 0.0 108.575 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.05 -39.39 82.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.774 -0.579 . . . . 0.0 109.67 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.98 -40.71 90.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.138 -0.976 . . . . 0.0 108.988 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.06 -46.9 88.02 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.414 -0.803 . . . . 0.0 109.602 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.505 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 61.4 m-85 -65.12 -38.33 90.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.261 -0.9 . . . . 0.0 109.887 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 49.1 mt -59.96 -40.02 87.6 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.846 -1.159 . . . . 0.0 108.842 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -60.06 -39.93 87.72 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.504 ' OE1' ' N ' ' B' ' 53' ' ' ALA . 4.9 tm0? -59.96 -40.02 87.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.153 -0.967 . . . . 0.0 108.941 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.504 ' N ' ' OE1' ' B' ' 52' ' ' GLN . . . -60.04 -33.93 72.69 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.99 -1.069 . . . . 0.0 108.823 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -59.14 -40.04 84.25 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 78.0 mt -77.18 116.83 18.14 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -131.71 -69.99 0.59 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.236 -0.915 . . . . 0.0 109.888 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.22 87.89 1.62 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.259 -0.9 . . . . 0.0 108.953 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' TRP . . . . . 0.429 ' CD1' ' N ' ' B' ' 58' ' ' TRP . 35.5 m95 -101.67 125.75 48.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.776 -0.578 . . . . 0.0 109.608 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 112.63 -5.04 26.2 Favored Glycine 0 N--CA 1.501 2.981 0 O-C-N 121.307 -0.871 . . . . 0.0 112.454 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.36 25.32 0.24 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.049 -1.853 . . . . 0.0 108.989 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.545 ' O ' ' CE1' ' C' ' 62' ' ' PHE . . . -93.26 101.76 14.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.506 -0.746 . . . . 0.0 109.819 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 13.3 m-85 -107.06 7.28 29.65 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.889 -1.132 . . . . 0.0 109.238 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -158.89 24.84 0.21 Allowed 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -143.11 151.53 40.83 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.413 -0.805 . . . . 0.0 109.927 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.6 t -110.98 57.73 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 177.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.48 160.02 43.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.725 -0.609 . . . . 0.0 109.579 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -121.02 133.79 55.27 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.537 HG23 ' O ' ' B' ' 68' ' ' THR . 8.1 t -94.81 119.75 33.91 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.201 -0.937 . . . . 0.0 110.015 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.545 HG23 ' O ' ' B' ' 69' ' ' THR . 9.6 t -112.33 121.67 45.54 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.1 t -119.44 97.65 50.17 Favored Pre-proline 0 N--CA 1.501 2.083 0 O-C-N 121.466 -0.771 . . . . 0.0 109.493 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -81.58 66.84 8.53 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 122.126 1.884 . . . . 0.0 112.054 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.445 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 19.7 t90 -69.3 129.49 91.78 Favored Pre-proline 0 N--CA 1.49 1.571 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' B' ' 72' ' ' TRP . 68.1 Cg_exo -38.11 149.01 0.08 OUTLIER 'Trans proline' 0 N--CA 1.487 1.138 0 C-N-CA 121.469 1.446 . . . . 0.0 111.562 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 17.3 t-20 -128.36 -59.4 1.16 Allowed 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.7 125.47 34.42 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 17.8 p -80.4 110.02 15.46 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.848 -1.157 . . . . 0.0 108.056 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.6 mt -79.72 137.21 36.97 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-O 121.797 0.808 . . . . 0.0 109.937 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.538 HG23 ' O ' ' B' ' 78' ' ' THR . 5.2 t -87.51 115.02 61.48 Favored Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -91.25 -47.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.111 0 C-N-CA 121.755 1.637 . . . . 0.0 114.08 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -121.62 -44.18 2.35 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.2 p90 -59.94 -50.05 75.28 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.21 -1.556 . . . . 0.0 112.503 -175.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.623 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.7 t30 -72.49 -43.53 63.51 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.156 -1.59 . . . . 0.0 110.349 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -59.92 -49.79 76.32 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.08 -1.012 . . . . 0.0 110.836 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.01 -42.01 94.85 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.729 -1.232 . . . . 0.0 109.781 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.441 HG23 ' O ' ' B' ' 81' ' ' TRP . 73.7 p -70.2 -40.03 74.82 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.29 -0.881 . . . . 0.0 109.556 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -67.83 -39.98 83.8 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 119.065 -1.054 . . . . 0.0 109.314 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -59.95 -40.39 88.82 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.617 -1.302 . . . . 0.0 108.343 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -65.18 -40.09 93.78 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.982 -1.074 . . . . 0.0 108.439 178.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.57 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 74.4 t90 -59.9 -50.06 75.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.512 -0.743 . . . . 0.0 110.043 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.35 -40.73 96.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.026 -1.046 . . . . 0.0 109.863 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 54.2 mtt-85 -62.04 -42.06 98.77 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.963 -1.086 . . . . 0.0 110.352 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -60.08 -42.88 95.56 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.854 -1.154 . . . . 0.0 109.542 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.14 -41.85 90.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.344 -0.848 . . . . 0.0 109.361 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.5 -40.16 90.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.301 -0.874 . . . . 0.0 110.987 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -68.93 -39.95 79.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.726 -1.234 . . . . 0.0 109.417 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.54 -39.96 84.99 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.149 -0.97 . . . . 0.0 109.99 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 97' ' ' GLU . . . . . 0.426 ' O ' HG23 ' B' ' 101' ' ' THR . 96.8 mt-10 -67.23 -39.99 86.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.891 -1.131 . . . . 0.0 109.774 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.2 -39.94 82.29 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.226 -0.921 . . . . 0.0 109.554 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -68.21 -39.91 82.25 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.335 -0.853 . . . . 0.0 109.792 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 85.6 mt -66.16 -40.93 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.063 -1.023 . . . . 0.0 109.635 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 101' ' ' THR . . . . . 0.426 HG23 ' O ' ' B' ' 97' ' ' GLU . 40.7 p -63.85 -40.78 97.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.914 -1.116 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.35 -49.17 78.65 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.354 -0.841 . . . . 0.0 109.829 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.26 -41.51 99.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.127 -0.983 . . . . 0.0 109.814 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 104' ' ' LEU . . . . . 0.462 HD23 HD11 ' B' ' 18' ' ' LEU . 84.4 mt -61.48 -41.03 96.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.037 -1.039 . . . . 0.0 109.571 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -64.93 -42.48 94.65 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.146 -0.971 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.61 -40.36 95.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.404 -0.81 . . . . 0.0 109.742 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.4 96.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.309 -0.87 . . . . 0.0 109.59 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -59.94 -49.95 75.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.147 -0.971 . . . . 0.0 109.654 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.05 -47.21 92.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 O-C-N 121.323 -0.861 . . . . 0.0 109.248 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -69.42 -39.98 77.54 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.558 -0.714 . . . . 0.0 110.597 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -59.98 -46.02 90.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.922 -1.111 . . . . 0.0 109.645 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.83 -40.1 95.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 109.453 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -65.66 -40.02 92.0 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.105 -0.997 . . . . 0.0 109.776 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -60.01 -41.35 91.94 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.041 -1.037 . . . . 0.0 109.7 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 115' ' ' MET . . . . . 0.431 ' C ' ' SD ' ' B' ' 115' ' ' MET . 12.4 tmm? -70.12 -40.79 74.64 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.989 -1.069 . . . . 0.0 109.047 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -61.77 -44.49 96.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.308 -0.87 . . . . 0.0 109.293 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.27 -39.93 88.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.348 -0.845 . . . . 0.0 109.152 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 13.5 tp -60.05 -40.89 90.97 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.7 mt-30 -63.41 -39.86 95.63 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.459 -0.776 . . . . 0.0 109.642 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -59.46 -34.32 72.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 0.0 109.589 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.51 -48.95 77.87 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.925 -1.109 . . . . 0.0 108.438 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -143.64 65.79 1.31 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.189 -0.944 . . . . 0.0 109.912 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.403 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.7 t . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.12 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.43 144.43 51.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.269 -0.894 . . . . 0.0 109.282 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -90.33 59.42 4.37 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.258 -0.901 . . . . 0.0 109.646 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -63.54 -39.89 95.58 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.236 -0.915 . . . . 0.0 108.736 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.5 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.9 t -60.09 -42.77 95.37 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.337 -0.852 . . . . 0.0 109.824 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.5 ' N ' HG23 ' C' ' 5' ' ' THR . 64.3 tp -59.99 -41.78 92.77 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.44 -38.58 91.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.767 -0.583 . . . . 0.0 109.495 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.081 -1.012 . . . . 0.0 108.6 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.71 -45.28 59.34 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.05 -48.41 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -1.112 . . . . 0.0 109.86 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.99 -43.72 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.001 -1.062 . . . . 0.0 109.428 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.23 -40.05 96.36 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.242 -0.911 . . . . 0.0 109.839 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -59.98 -40.73 90.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 0.0 109.103 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -61.83 -40.29 94.76 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.005 -1.059 . . . . 0.0 109.384 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -60.0 -45.93 91.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.234 -0.916 . . . . 0.0 109.392 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.03 -43.36 95.37 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.253 -0.905 . . . . 0.0 109.644 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.05 -42.3 98.22 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.304 -0.872 . . . . 0.0 109.101 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' LEU . . . . . 0.459 HD11 HD23 ' C' ' 104' ' ' LEU . 46.3 tp -60.81 -43.54 98.07 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.355 -0.841 . . . . 0.0 108.953 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -59.98 -47.77 84.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.235 -0.915 . . . . 0.0 109.718 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.46 -41.96 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.032 -1.042 . . . . 0.0 109.123 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.97 -46.02 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.44 -0.787 . . . . 0.0 109.059 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.05 -41.65 92.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.462 -0.774 . . . . 0.0 109.104 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.431 ' HG2' HH11 ' C' ' 23' ' ' ARG . 53.6 mtt-85 -60.43 -40.05 89.65 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.285 -0.884 . . . . 0.0 109.512 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.82 -39.9 90.71 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.112 -0.993 . . . . 0.0 109.441 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -60.15 -46.74 88.63 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.17 -0.956 . . . . 0.0 109.101 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.59 -40.07 88.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.206 -0.934 . . . . 0.0 109.416 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.41 HD23 HD13 ' A' ' 28' ' ' LEU . 29.8 tp -63.45 -40.17 96.43 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.356 -0.84 . . . . 0.0 109.455 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.39 -40.57 91.37 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.412 -0.805 . . . . 0.0 109.586 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.84 -39.98 91.11 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.122 -0.986 . . . . 0.0 109.398 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.549 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 97.3 mt -62.02 -40.76 96.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.752 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.0 p -67.0 -40.01 87.25 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.103 -0.998 . . . . 0.0 109.643 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 56.7 t -60.54 -40.03 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.334 -0.854 . . . . 0.0 109.181 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -59.97 -43.91 94.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.265 -0.897 . . . . 0.0 109.753 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.68 89.86 Favored Glycine 0 N--CA 1.487 2.052 0 C-N-CA 119.343 -1.408 . . . . 0.0 109.818 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -50.01 75.43 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.995 -1.297 . . . . 0.0 110.08 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.32 -39.97 94.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.073 -1.017 . . . . 0.0 109.779 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.662 HD21 HH21 ' C' ' 41' ' ' ARG . 53.6 t-20 -60.01 -40.84 90.67 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.296 -0.877 . . . . 0.0 109.69 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.09 -40.02 94.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.049 -1.032 . . . . 0.0 109.955 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -59.99 -41.79 92.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.057 -1.027 . . . . 0.0 109.48 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 71.8 p -60.1 -40.03 88.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.01 -1.056 . . . . 0.0 108.837 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.662 HH21 HD21 ' C' ' 37' ' ' ASN . 34.3 mtt-85 -67.17 -39.99 86.53 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.03 -42.74 90.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.28 -0.887 . . . . 0.0 109.078 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 70.7 p -60.02 -40.09 88.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.075 -1.016 . . . . 0.0 109.826 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.35 95.44 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.137 -0.977 . . . . 0.0 108.511 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 95.6 mt -61.09 -39.24 81.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.711 -0.618 . . . . 0.0 109.759 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -60.06 -40.51 89.73 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.222 -0.924 . . . . 0.0 108.983 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.31 -46.66 89.08 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.427 -0.796 . . . . 0.0 109.639 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 61.0 m-85 -65.25 -38.37 90.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.257 -0.902 . . . . 0.0 109.701 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 48.0 mt -60.0 -40.05 87.86 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.936 -1.103 . . . . 0.0 108.809 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -59.99 -39.92 87.39 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' C' ' 53' ' ' ALA . 4.9 tm0? -59.94 -40.03 87.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.194 -0.941 . . . . 0.0 109.065 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 53' ' ' ALA . . . . . 0.498 ' N ' ' OE1' ' C' ' 52' ' ' GLN . . . -59.94 -33.93 72.57 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.066 -1.021 . . . . 0.0 108.79 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -59.21 -39.99 84.39 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 81.3 mt -77.19 116.75 18.09 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -131.62 -69.93 0.6 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.138 -0.976 . . . . 0.0 109.917 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.22 87.84 1.62 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.377 -0.827 . . . . 0.0 108.795 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 58' ' ' TRP . . . . . 0.427 ' CD1' ' N ' ' C' ' 58' ' ' TRP . 35.3 m95 -101.6 125.46 48.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.778 -0.576 . . . . 0.0 109.703 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 59' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 112.64 -4.51 26.19 Favored Glycine 0 N--CA 1.5 2.901 0 O-C-N 121.287 -0.883 . . . . 0.0 112.436 177.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.73 25.49 0.26 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.051 -1.852 . . . . 0.0 108.866 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 61' ' ' ALA . . . . . 0.534 ' O ' ' CE1' ' A' ' 62' ' ' PHE . . . -93.5 101.92 14.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.477 -0.764 . . . . 0.0 109.827 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 62' ' ' PHE . . . . . 0.545 ' CE1' ' O ' ' B' ' 61' ' ' ALA . 13.2 m-85 -107.12 7.33 29.56 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.954 -1.092 . . . . 0.0 109.329 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -158.93 24.82 0.21 Allowed 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -143.26 151.44 40.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.517 -0.739 . . . . 0.0 109.849 -178.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 t -110.94 57.7 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 177.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.51 159.95 43.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.755 -0.591 . . . . 0.0 109.611 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -120.88 134.01 55.3 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.512 HG23 ' O ' ' C' ' 68' ' ' THR . 8.2 t -94.98 119.87 34.23 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.213 -0.93 . . . . 0.0 110.048 -178.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 69' ' ' THR . . . . . 0.548 HG23 ' O ' ' C' ' 69' ' ' THR . 9.2 t -112.47 121.61 45.33 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 46.5 t -119.56 97.43 50.01 Favored Pre-proline 0 N--CA 1.499 1.991 0 O-C-N 121.493 -0.754 . . . . 0.0 109.5 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -81.38 66.86 8.62 Favored 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.227 1.951 . . . . 0.0 112.049 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.447 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 20.3 t90 -69.54 129.45 91.47 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' C' ' 72' ' ' TRP . 66.9 Cg_exo -38.03 148.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 121.494 1.463 . . . . 0.0 111.59 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.505 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 17.1 t-20 -128.23 -58.91 1.19 Allowed 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.2 125.39 34.6 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 16.8 p -80.44 109.97 15.44 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.841 -1.162 . . . . 0.0 108.153 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 35.2 mt -79.67 137.04 36.95 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.844 0.83 . . . . 0.0 110.044 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.543 HG23 ' O ' ' C' ' 78' ' ' THR . 5.2 t -87.49 114.77 60.32 Favored Pre-proline 0 C--N 1.298 -1.642 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -91.25 -47.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 121.722 1.615 . . . . 0.0 114.094 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -121.78 -44.36 2.32 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.308 -0.87 . . . . 0.0 113.332 -176.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.614 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.2 p90 -60.02 -49.93 75.74 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.246 -1.534 . . . . 0.0 112.473 -175.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.614 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.9 t30 -72.55 -43.41 63.51 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.224 -1.548 . . . . 0.0 110.358 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -60.0 -49.67 76.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.068 -1.02 . . . . 0.0 110.884 -178.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.04 -42.1 94.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.726 -1.234 . . . . 0.0 109.816 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.433 HG23 ' O ' ' C' ' 81' ' ' TRP . 75.8 p -70.05 -39.99 75.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.319 -0.863 . . . . 0.0 109.621 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -68.05 -39.94 82.92 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.255 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -59.99 -40.45 89.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.757 -1.214 . . . . 0.0 108.253 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.03 -40.04 94.25 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.953 -1.092 . . . . 0.0 108.458 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.555 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 74.6 t90 -60.02 -49.96 75.62 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.541 -0.724 . . . . 0.0 110.034 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.42 -40.82 96.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.084 -1.01 . . . . 0.0 109.896 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -62.02 -41.99 98.69 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.016 -1.053 . . . . 0.0 110.396 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -60.09 -43.14 95.74 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.864 -1.147 . . . . 0.0 109.485 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.8 -42.12 91.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.446 -0.784 . . . . 0.0 109.426 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.34 -40.07 89.35 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.311 -0.868 . . . . 0.0 110.971 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -69.02 -39.98 78.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.738 -1.226 . . . . 0.0 109.449 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.47 -40.12 85.29 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.193 -0.942 . . . . 0.0 110.019 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 97' ' ' GLU . . . . . 0.427 ' O ' HG23 ' C' ' 101' ' ' THR . 97.1 mt-10 -67.04 -39.91 87.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.818 -1.176 . . . . 0.0 109.864 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.31 -40.08 81.82 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.211 -0.931 . . . . 0.0 109.534 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -67.87 -40.02 83.66 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.343 -0.848 . . . . 0.0 109.742 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.16 -41.23 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.09 -1.006 . . . . 0.0 109.567 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 101' ' ' THR . . . . . 0.427 HG23 ' O ' ' C' ' 97' ' ' GLU . 40.9 p -63.74 -40.64 97.22 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.919 -1.113 . . . . 0.0 109.369 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.61 -49.13 78.75 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.318 -0.864 . . . . 0.0 109.794 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.12 -41.74 99.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.179 -0.95 . . . . 0.0 109.733 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 104' ' ' LEU . . . . . 0.459 HD23 HD11 ' C' ' 18' ' ' LEU . 84.5 mt -61.3 -41.41 96.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.001 -1.062 . . . . 0.0 109.592 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -64.25 -43.16 95.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.063 -1.023 . . . . 0.0 109.286 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.8 -40.94 97.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.409 -0.807 . . . . 0.0 109.797 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.28 95.0 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.291 -0.881 . . . . 0.0 109.765 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -60.0 -49.88 75.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.079 -1.013 . . . . 0.0 109.603 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.2 -47.02 93.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.256 -0.902 . . . . 0.0 109.253 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -69.54 -40.03 77.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.475 -0.765 . . . . 0.0 110.599 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -60.01 -45.86 91.38 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.977 -1.077 . . . . 0.0 109.664 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.99 -40.03 95.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.136 -0.978 . . . . 0.0 109.479 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -65.75 -39.95 91.6 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.129 -0.982 . . . . 0.0 109.801 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -60.04 -41.29 91.96 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.937 -1.102 . . . . 0.0 109.736 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 115' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' C' ' 115' ' ' MET . 12.4 tmm? -70.04 -40.93 74.84 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.937 -1.102 . . . . 0.0 109.166 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -61.7 -44.49 96.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.388 -0.82 . . . . 0.0 109.182 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.24 -40.07 88.96 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.355 -0.841 . . . . 0.0 109.143 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 13.5 tp -59.99 -40.89 90.7 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.8 mt-30 -63.31 -39.84 95.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.509 -0.744 . . . . 0.0 109.669 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -60.09 -33.31 71.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.218 -0.926 . . . . 0.0 109.7 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 88.3 mt -58.1 -48.88 78.84 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.887 -1.133 . . . . 0.0 108.451 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -143.65 65.78 1.31 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.172 -0.955 . . . . 0.0 109.879 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.405 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.7 t . . . . . 0 N--CA 1.495 1.777 0 O-C-N 121.15 -0.969 . . . . 0.0 109.124 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 121.506 0.67 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.505 ' N ' ' OE1' ' A' ' 2' ' ' GLN . 1.0 OUTLIER -78.5 144.99 35.2 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.365 -0.834 . . . . 0.0 109.293 179.872 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 p -89.09 60.0 5.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.168 -0.957 . . . . 0.0 108.812 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.03 -39.94 94.02 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.458 -0.776 . . . . 0.0 108.985 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.404 HG22 ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -60.43 -42.47 96.11 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.213 -0.929 . . . . 0.0 109.12 179.781 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.25 -43.02 99.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.131 -0.981 . . . . 0.0 108.745 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.0 mt -60.25 -39.87 88.29 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.642 -0.662 . . . . 0.0 110.196 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.05 85.75 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.014 -1.054 . . . . 0.0 108.556 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.36 -45.94 44.59 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.04 -47.59 91.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.082 -1.246 . . . . 0.0 109.903 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.06 -41.66 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.124 -0.985 . . . . 0.0 108.47 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.94 -40.05 91.8 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -60.22 -45.34 93.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.476 -0.765 . . . . 0.0 109.739 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -60.33 -41.38 93.46 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.405 -0.81 . . . . 0.0 109.303 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.02 -46.85 88.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.223 -0.923 . . . . 0.0 109.476 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -61.32 -41.22 96.66 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.251 -0.906 . . . . 0.0 109.879 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.77 -41.48 97.76 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.09 -1.007 . . . . 0.0 108.638 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.37 -43.15 96.83 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.31 -49.99 75.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.481 -0.762 . . . . 0.0 109.803 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.31 -41.78 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 121.1 -1.0 . . . . 0.0 109.416 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.96 -43.85 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.168 -0.957 . . . . 0.0 109.129 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -60.71 -41.25 94.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.496 -0.753 . . . . 0.0 109.008 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.45 ' HE ' HD11 ' B' ' 103' ' ' LEU . 55.8 mtt-85 -61.32 -40.07 92.87 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.401 -0.812 . . . . 0.0 109.83 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.67 -39.92 90.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.949 -1.094 . . . . 0.0 109.412 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -60.2 -42.37 94.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.164 -0.96 . . . . 0.0 109.016 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -68.27 -40.44 81.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.269 -0.894 . . . . 0.0 109.068 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.464 HD23 HD13 ' B' ' 28' ' ' LEU . 24.9 tp -63.59 -40.56 97.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.527 -0.733 . . . . 0.0 109.53 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.434 HD13 HD23 ' C' ' 27' ' ' LEU . 23.8 mt -60.13 -40.4 89.64 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.302 -0.873 . . . . 0.0 109.628 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.23 -40.68 94.92 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.144 -0.972 . . . . 0.0 109.667 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.573 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 88.1 mt -62.78 -39.97 95.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 0.0 109.276 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.7 p -66.19 -40.2 90.26 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.052 -1.03 . . . . 0.0 109.55 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.49 -40.0 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.19 -0.944 . . . . 0.0 109.014 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -60.24 -44.19 95.44 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.471 -0.768 . . . . 0.0 110.24 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -47.37 91.32 Favored Glycine 0 N--CA 1.49 2.254 0 C-N-CA 119.558 -1.306 . . . . 0.0 109.908 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.26 -50.04 75.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.051 -1.264 . . . . 0.0 109.941 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -60.31 -39.95 88.84 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.153 -0.967 . . . . 0.0 109.696 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -59.98 -40.08 87.88 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.238 -0.914 . . . . 0.0 109.093 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.94 -40.24 88.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.067 -1.021 . . . . 0.0 109.425 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -59.89 -40.25 88.12 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.315 -0.866 . . . . 0.0 109.681 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.0 p -60.03 -42.79 95.13 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.072 -1.017 . . . . 0.0 108.622 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.624 HH21 ' CG ' ' B' ' 82' ' ' ASN . 60.3 mtt-85 -64.31 -39.92 94.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 0.0 109.188 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -45.29 95.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 C-N-CA 119.379 -0.928 . . . . 0.0 108.855 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.5 p -60.19 -42.2 94.54 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.898 -1.126 . . . . 0.0 109.905 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.5 95.97 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.213 -0.929 . . . . 0.0 108.913 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.9 mt -60.04 -39.08 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.697 -0.627 . . . . 0.0 109.456 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.8 -40.57 88.77 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.113 -0.992 . . . . 0.0 109.413 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.79 -41.13 99.12 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.844 -1.16 . . . . 0.0 108.926 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.592 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 51.4 m-85 -67.17 -39.56 86.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.523 -0.735 . . . . 0.0 109.77 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.04 -39.98 87.81 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.794 -1.191 . . . . 0.0 108.726 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.84 -39.7 86.01 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.973 -1.079 . . . . 0.0 109.081 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.73 -39.77 85.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.232 -0.918 . . . . 0.0 108.876 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.651 ' NE2' ' N ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -59.83 -40.0 87.02 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.005 -1.059 . . . . 0.0 109.328 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.42 85.55 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 120.672 -1.267 . . . . 0.0 108.254 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.89 -39.85 86.73 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.334 -0.854 . . . . 0.0 108.768 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.9 mt -69.31 117.77 11.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.152 -0.967 . . . . 0.0 108.751 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 70' ' ' VAL . 35.8 m120 -134.69 -69.4 0.52 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.257 -0.902 . . . . 0.0 110.549 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.795 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -151.27 116.82 5.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.202 -0.937 . . . . 0.0 109.538 -179.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.828 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 89.9 m95 -100.35 129.93 46.39 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.401 -0.812 . . . . 0.0 110.436 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' B' ' 60' ' ' ALA . . . 61.49 25.3 64.96 Favored Glycine 0 N--CA 1.49 2.283 0 C-N-CA 120.021 -1.085 . . . . 0.0 110.434 178.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -76.12 23.7 0.14 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.859 -1.377 . . . . 0.0 109.492 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.439 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.71 99.84 1.27 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.986 -1.071 . . . . 0.0 110.426 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.479 ' HB3' HE22 ' B' ' 64' ' ' GLN . 43.1 m-85 -108.46 11.79 26.64 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.195 -0.941 . . . . 0.0 109.555 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -133.59 23.15 3.99 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 177.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.468 HE22 ' HB3' ' C' ' 62' ' ' PHE . 29.9 mp0 -150.57 153.11 35.17 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -101.22 60.33 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.102 -0.999 . . . . 0.0 108.525 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.98 157.4 43.11 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.526 -0.734 . . . . 0.0 109.363 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -129.6 132.21 46.71 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.89 112.24 24.13 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.908 -1.12 . . . . 0.0 109.349 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.61 121.47 44.27 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.556 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 57.3 t -123.8 83.3 54.57 Favored Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 121.417 -0.802 . . . . 0.0 110.174 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -86.73 62.54 4.5 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.909 2.406 . . . . 0.0 110.873 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' PRO . 22.2 t90 -69.19 132.55 89.96 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.408 ' C ' ' O ' ' A' ' 72' ' ' TRP . 78.1 Cg_exo -38.59 149.04 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 121.75 1.633 . . . . 0.0 110.889 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.53 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.2 OUTLIER -127.56 -53.99 1.35 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.242 -0.911 . . . . 0.0 110.175 -178.699 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.11 126.88 38.43 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.492 -0.755 . . . . 0.0 109.607 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.0 t -81.95 109.69 16.54 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -83.75 136.23 34.24 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.731 0.777 . . . . 0.0 110.478 -177.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 78' ' ' THR . 9.2 t -94.93 110.77 51.66 Favored Pre-proline 0 N--CA 1.493 1.684 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -90.58 -49.53 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.375 0 C-N-CA 121.787 1.658 . . . . 0.0 115.596 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -122.12 -43.05 2.34 Favored 'General case' 0 N--CA 1.507 2.41 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.645 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.8 p90 -59.57 -49.59 77.18 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.433 -1.417 . . . . 0.0 112.089 -175.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.645 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 63.7 t30 -71.09 -40.29 71.62 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.252 -1.53 . . . . 0.0 111.009 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.89 -50.13 74.98 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.067 -1.021 . . . . 0.0 110.657 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.84 -47.13 87.77 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.882 -1.137 . . . . 0.0 109.325 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.7 p -68.27 -39.93 82.01 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.481 -0.762 . . . . 0.0 110.199 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -66.89 -40.18 87.67 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.017 -1.052 . . . . 0.0 109.098 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -59.89 -40.59 89.25 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 118.677 -1.209 . . . . 0.0 108.553 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.96 -40.48 93.53 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.157 -0.965 . . . . 0.0 108.864 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.545 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 65.2 t90 -60.47 -49.64 76.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.302 -0.874 . . . . 0.0 109.353 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -63.12 -42.54 99.54 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.216 -0.927 . . . . 0.0 109.318 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.405 ' HG2' HH11 ' A' ' 91' ' ' ARG . 52.8 mtt-85 -62.09 -43.25 99.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.151 -0.968 . . . . 0.0 110.498 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -60.35 -41.8 94.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.974 -1.079 . . . . 0.0 109.037 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.77 -40.11 87.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.339 -0.851 . . . . 0.0 109.381 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.96 -39.98 94.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.145 -0.972 . . . . 0.0 110.745 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -70.05 -40.04 75.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.729 -1.232 . . . . 0.0 109.63 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.63 -41.07 88.91 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.103 -0.998 . . . . 0.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 101' ' ' THR . 86.7 tt0 -60.21 -48.57 81.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.273 -0.892 . . . . 0.0 109.06 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.34 -42.93 99.5 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.557 -0.714 . . . . 0.0 109.743 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -64.39 -40.18 95.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.223 -0.923 . . . . 0.0 109.867 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.7 mt -67.79 -40.09 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.081 -1.012 . . . . 0.0 109.709 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 97' ' ' GLU . 43.5 p -63.43 -40.32 96.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.941 -1.1 . . . . 0.0 109.481 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.77 -50.1 74.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.314 -0.866 . . . . 0.0 110.097 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.403 HD11 ' HE ' ' C' ' 23' ' ' ARG . 99.1 mt -61.44 -41.76 97.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.105 -0.997 . . . . 0.0 109.708 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.69 -43.8 97.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.157 -0.964 . . . . 0.0 109.256 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.96 -47.79 84.37 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.183 -0.948 . . . . 0.0 109.422 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.84 -40.2 94.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.053 -1.029 . . . . 0.0 109.475 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.03 -45.58 94.21 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.3 -0.875 . . . . 0.0 109.611 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.15 -48.28 82.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -0.943 . . . . 0.0 109.316 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.17 -48.78 86.7 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.286 -0.884 . . . . 0.0 108.682 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -67.68 -39.98 84.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.28 -0.888 . . . . 0.0 110.588 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -60.35 -50.01 75.33 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.991 -1.068 . . . . 0.0 109.912 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.05 -41.37 99.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.174 -0.954 . . . . 0.0 109.007 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -61.54 -42.41 98.78 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.348 -0.845 . . . . 0.0 110.113 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -62.22 -40.92 97.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.803 -1.186 . . . . 0.0 109.216 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.14 -40.77 78.04 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.268 -0.895 . . . . 0.0 108.588 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -60.02 -47.66 84.92 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.362 -0.836 . . . . 0.0 108.768 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.12 -40.09 92.46 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.29 -0.881 . . . . 0.0 109.098 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.41 -41.69 94.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.521 -0.737 . . . . 0.0 109.732 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.3 mt-30 -60.3 -40.68 91.36 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.027 -1.046 . . . . 0.0 109.596 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -60.76 -39.81 90.14 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.117 -0.989 . . . . 0.0 109.423 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.49 -49.37 78.04 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -116.23 59.12 0.74 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.428 -0.795 . . . . 0.0 109.139 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 119' ' ' GLN . 3.1 t . . . . . 0 N--CA 1.494 1.759 0 O-C-N 120.956 -1.09 . . . . 0.0 109.323 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' B' ' 2' ' ' GLN . 1.0 OUTLIER -78.81 145.0 34.54 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.481 -0.762 . . . . 0.0 109.316 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 37.8 p -88.84 59.73 5.19 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.2 -0.938 . . . . 0.0 108.972 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.0 -39.95 94.0 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.32 -0.863 . . . . 0.0 109.232 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -42.72 95.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.122 -0.986 . . . . 0.0 109.072 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.14 -43.14 99.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.095 -1.003 . . . . 0.0 108.635 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 41.2 mt -60.3 -39.98 88.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.678 -0.638 . . . . 0.0 110.104 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.11 -40.23 84.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.995 -1.065 . . . . 0.0 108.397 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.23 -45.81 46.52 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.24 -47.89 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.288 -1.125 . . . . 0.0 109.935 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.16 -41.16 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.132 -0.98 . . . . 0.0 108.457 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.09 -40.03 92.18 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -60.01 -45.47 92.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.456 -0.778 . . . . 0.0 109.884 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -60.48 -41.65 94.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.443 -0.786 . . . . 0.0 109.251 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -60.2 -46.76 88.62 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -0.891 . . . . 0.0 109.205 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -60.72 -41.52 95.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.209 -0.932 . . . . 0.0 109.952 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.0 -41.37 97.97 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.973 -1.079 . . . . 0.0 108.606 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.3 -43.46 96.28 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.96 -50.19 74.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.506 -0.746 . . . . 0.0 109.812 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 83.2 t -59.99 -41.54 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.157 -0.964 . . . . 0.0 109.386 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.13 -44.01 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.275 -0.891 . . . . 0.0 109.13 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -60.67 -41.37 94.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.516 -0.74 . . . . 0.0 109.184 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.422 ' HG2' HH11 ' B' ' 23' ' ' ARG . 55.9 mtt-85 -61.19 -39.92 92.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.414 -0.804 . . . . 0.0 109.894 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.44 -40.18 90.21 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.036 -1.04 . . . . 0.0 109.45 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.37 -42.14 95.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.865 . . . . 0.0 109.063 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.27 -40.14 81.96 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.318 -0.864 . . . . 0.0 109.008 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.477 HD23 HD13 ' C' ' 28' ' ' LEU . 25.1 tp -64.2 -40.35 95.89 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.445 -0.784 . . . . 0.0 109.431 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.464 HD13 HD23 ' A' ' 27' ' ' LEU . 24.4 mt -60.2 -40.3 89.59 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.324 -0.86 . . . . 0.0 109.688 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.52 -41.06 96.75 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.109 -0.994 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.576 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 87.7 mt -62.23 -40.04 94.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.103 -0.998 . . . . 0.0 109.402 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 73.0 p -66.49 -40.09 89.1 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.226 -0.921 . . . . 0.0 109.467 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.51 -40.37 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.148 -0.97 . . . . 0.0 108.861 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -60.01 -43.94 94.92 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.383 -0.823 . . . . 0.0 110.32 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -47.45 90.93 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.25 -49.97 75.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.148 -1.207 . . . . 0.0 109.973 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -60.61 -39.85 89.7 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.194 -0.941 . . . . 0.0 109.522 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.22 -0.925 . . . . 0.0 109.311 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.17 -39.96 88.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.927 . . . . 0.0 109.343 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -60.0 -40.08 87.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.34 -0.85 . . . . 0.0 109.709 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 57.2 p -60.0 -43.14 95.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.019 -1.051 . . . . 0.0 108.628 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.603 HH21 ' CG ' ' C' ' 82' ' ' ASN . 60.0 mtt-85 -64.21 -40.0 95.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.374 -0.828 . . . . 0.0 109.057 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.95 -45.32 95.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 C-N-CA 119.211 -0.996 . . . . 0.0 108.929 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -60.18 -41.9 93.89 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.034 -1.041 . . . . 0.0 109.982 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.03 98.69 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.07 -1.019 . . . . 0.0 108.874 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.02 -39.3 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.688 -0.632 . . . . 0.0 109.457 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.64 -40.31 87.23 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.103 -0.998 . . . . 0.0 109.516 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.33 -40.86 98.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.8 -1.187 . . . . 0.0 108.553 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.593 ' O ' ' NE2' ' B' ' 52' ' ' GLN . 51.0 m-85 -67.12 -39.82 86.73 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.365 -0.834 . . . . 0.0 109.834 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 42.7 mt -59.84 -39.94 86.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.733 -1.229 . . . . 0.0 108.762 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.93 -39.35 85.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.932 -1.105 . . . . 0.0 109.114 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -59.8 -39.77 86.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.222 -0.924 . . . . 0.0 109.108 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.663 ' NE2' ' N ' ' B' ' 52' ' ' GLN . 0.0 OUTLIER -59.94 -39.93 87.23 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.975 -1.078 . . . . 0.0 109.188 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.74 86.18 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 120.772 -1.205 . . . . 0.0 108.247 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.76 -39.81 86.05 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.16 -0.963 . . . . 0.0 108.85 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -69.42 117.85 11.55 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.017 -1.052 . . . . 0.0 108.645 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' B' ' 70' ' ' VAL . 35.7 m120 -134.47 -69.36 0.52 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.095 -1.003 . . . . 0.0 110.461 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.828 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -151.15 117.0 5.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.219 -0.925 . . . . 0.0 109.658 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' TRP . . . . . 0.75 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 89.8 m95 -100.54 129.92 46.54 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.404 -0.81 . . . . 0.0 110.469 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 61.56 25.57 65.46 Favored Glycine 0 N--CA 1.489 2.229 0 C-N-CA 119.898 -1.144 . . . . 0.0 110.274 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -76.6 23.63 0.16 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.637 -1.508 . . . . 0.0 109.433 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.418 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.26 99.57 1.33 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.682 -1.261 . . . . 0.0 110.41 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.414 ' HB3' HE22 ' C' ' 64' ' ' GLN . 44.5 m-85 -108.26 11.53 27.22 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.098 -1.001 . . . . 0.0 109.643 178.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -133.35 23.08 4.07 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLN . . . . . 0.479 HE22 ' HB3' ' A' ' 62' ' ' PHE . 29.9 mp0 -150.42 153.07 35.31 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.136 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.6 t -101.02 60.59 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.043 -1.036 . . . . 0.0 108.602 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.15 157.3 42.97 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.436 -0.79 . . . . 0.0 109.333 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -129.68 132.11 46.58 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.417 ' H ' HG22 ' B' ' 68' ' ' THR . 0.0 OUTLIER -92.92 112.31 24.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.927 -1.108 . . . . 0.0 109.316 -179.081 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.64 121.87 45.46 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.57 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 53.5 t -124.36 83.41 57.23 Favored Pre-proline 0 N--CA 1.499 1.99 0 O-C-N 121.415 -0.803 . . . . 0.0 110.153 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -86.62 62.65 4.61 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 122.902 2.401 . . . . 0.0 110.756 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.413 ' O ' ' C ' ' B' ' 73' ' ' PRO . 23.0 t90 -69.3 132.51 89.76 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.376 -0.827 . . . . 0.0 109.106 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.413 ' C ' ' O ' ' B' ' 72' ' ' TRP . 83.2 Cg_exo -38.38 149.27 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 121.695 1.597 . . . . 0.0 110.858 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.549 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.2 OUTLIER -127.79 -54.3 1.32 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.217 -0.927 . . . . 0.0 109.899 -178.562 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.25 126.97 38.65 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.294 -0.879 . . . . 0.0 109.572 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.2 t -81.82 109.91 16.64 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.1 mt -83.79 136.18 34.25 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 121.624 0.726 . . . . 0.0 110.54 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.651 HG23 ' O ' ' B' ' 78' ' ' THR . 9.2 t -94.72 111.46 54.3 Favored Pre-proline 0 N--CA 1.493 1.687 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -91.07 -50.06 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.267 0 C-N-CA 121.824 1.682 . . . . 0.0 115.193 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -121.55 -42.97 2.41 Favored 'General case' 0 N--CA 1.508 2.45 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -176.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.66 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.7 p90 -59.61 -49.52 77.45 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.435 -1.416 . . . . 0.0 112.133 -175.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.66 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 63.0 t30 -71.08 -40.56 71.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.234 -1.541 . . . . 0.0 110.844 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -60.15 -49.97 75.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.018 -1.051 . . . . 0.0 110.666 -178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.49 -47.15 87.39 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.835 -1.166 . . . . 0.0 109.248 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 70.5 p -68.5 -40.17 80.98 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.317 -0.865 . . . . 0.0 110.151 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -66.51 -40.14 89.06 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.94 -1.1 . . . . 0.0 109.319 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.1 -40.31 89.22 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.658 -1.276 . . . . 0.0 108.482 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.93 -40.76 94.45 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.075 -1.015 . . . . 0.0 108.944 178.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.573 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 64.7 t90 -60.09 -49.87 75.95 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.187 -0.945 . . . . 0.0 109.225 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -63.38 -42.4 98.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.206 -0.934 . . . . 0.0 109.231 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.416 ' HG2' HH11 ' B' ' 91' ' ' ARG . 53.3 mtt-85 -62.03 -43.53 98.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.149 -0.97 . . . . 0.0 110.305 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -60.05 -41.39 92.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.701 -1.25 . . . . 0.0 109.235 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.03 -40.14 88.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.294 -0.879 . . . . 0.0 109.265 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.76 -40.21 94.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.121 -0.987 . . . . 0.0 110.741 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -69.86 -39.95 76.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.814 -1.179 . . . . 0.0 109.602 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.83 -41.03 88.12 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.198 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.16 -48.63 80.92 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.294 -0.879 . . . . 0.0 108.965 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -61.38 -43.52 98.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.56 -0.713 . . . . 0.0 109.567 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -63.96 -40.15 95.75 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.235 -0.915 . . . . 0.0 109.955 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -67.69 -40.32 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.138 -0.977 . . . . 0.0 109.594 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.6 p -63.46 -40.26 96.66 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.941 -1.1 . . . . 0.0 109.51 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.78 -49.88 75.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.296 -0.877 . . . . 0.0 110.098 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.45 HD11 ' HE ' ' A' ' 23' ' ' ARG . 99.2 mt -61.6 -41.77 97.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.138 -0.976 . . . . 0.0 109.58 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.72 -43.38 97.94 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.18 -0.95 . . . . 0.0 109.166 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.08 -47.91 83.93 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.189 -0.944 . . . . 0.0 109.462 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.8 -40.4 95.17 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.171 -0.956 . . . . 0.0 109.552 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.72 92.91 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.197 -0.939 . . . . 0.0 109.574 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.28 -48.1 83.19 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.193 -0.942 . . . . 0.0 109.391 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.08 -49.04 85.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 121.332 -0.855 . . . . 0.0 108.735 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -67.64 -40.01 84.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.417 -0.802 . . . . 0.0 110.568 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.54 -50.04 75.14 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.1 -1.0 . . . . 0.0 110.014 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -62.69 -41.75 99.27 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.161 -0.962 . . . . 0.0 109.001 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -61.39 -42.3 98.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.359 -0.838 . . . . 0.0 110.083 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.34 -41.15 98.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.836 -1.165 . . . . 0.0 109.199 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -68.81 -40.72 79.41 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.23 -0.919 . . . . 0.0 108.703 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -60.19 -47.83 84.3 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.0 -39.93 91.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.214 -0.929 . . . . 0.0 109.134 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.67 -41.21 94.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.459 -0.776 . . . . 0.0 109.881 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.6 mt-30 -60.45 -40.79 92.44 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.151 -0.968 . . . . 0.0 109.598 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -60.63 -39.63 88.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.206 -0.934 . . . . 0.0 109.456 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.55 -49.51 77.49 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -116.13 58.99 0.74 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.652 -0.655 . . . . 0.0 109.311 178.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.411 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.8 t . . . . . 0 N--CA 1.493 1.697 0 O-C-N 120.947 -1.096 . . . . 0.0 109.439 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 2' ' ' GLN . . . . . 0.494 ' N ' ' OE1' ' C' ' 2' ' ' GLN . 1.0 OUTLIER -79.28 144.99 33.77 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.31 -0.868 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 38.7 p -89.03 59.88 5.19 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.137 -0.977 . . . . 0.0 108.908 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.67 -39.91 93.09 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.348 -0.845 . . . . 0.0 109.137 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.4 ' H ' HG22 ' C' ' 5' ' ' THR . 0.1 OUTLIER -60.3 -43.11 96.58 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.123 -0.985 . . . . 0.0 109.255 179.646 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.91 -43.17 99.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.181 -0.949 . . . . 0.0 108.54 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 39.5 mt -60.46 -39.85 89.04 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.564 -0.71 . . . . 0.0 110.167 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.06 84.53 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.973 -1.079 . . . . 0.0 108.463 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.01 -45.93 47.65 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.16 -48.32 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.178 -1.19 . . . . 0.0 109.785 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.15 -41.27 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.91 -39.95 91.28 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.453 -0.779 . . . . 0.0 108.951 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -60.3 -45.62 92.72 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.412 -0.805 . . . . 0.0 109.454 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -60.28 -41.61 93.69 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.406 -0.809 . . . . 0.0 109.321 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.14 -46.77 88.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.15 -0.969 . . . . 0.0 109.333 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -60.74 -41.26 95.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.297 -0.877 . . . . 0.0 109.933 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.31 -40.82 97.58 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.034 -1.041 . . . . 0.0 108.675 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.6 -43.61 97.2 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -60.07 -49.99 75.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.409 -0.807 . . . . 0.0 109.727 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.23 -40.84 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.033 -1.042 . . . . 0.0 109.558 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.68 -43.94 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.189 -0.944 . . . . 0.0 109.086 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -60.66 -41.37 94.86 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.408 HH11 ' HG2' ' C' ' 23' ' ' ARG . 55.0 mtt-85 -61.11 -40.13 92.6 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.43 -0.794 . . . . 0.0 109.94 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.49 -40.29 90.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.251 -0.906 . . . . 0.0 109.407 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -59.95 -42.54 94.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.341 -0.849 . . . . 0.0 108.912 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.05 -40.12 82.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.19 -0.944 . . . . 0.0 109.112 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.434 HD23 HD13 ' A' ' 28' ' ' LEU . 25.1 tp -64.22 -40.3 95.77 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.477 -0.764 . . . . 0.0 109.508 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.477 HD13 HD23 ' B' ' 27' ' ' LEU . 23.6 mt -60.49 -40.45 91.38 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.307 -0.871 . . . . 0.0 109.467 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.18 -40.46 94.0 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.161 -0.962 . . . . 0.0 109.52 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.545 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.9 mt -62.96 -40.11 96.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.201 -0.937 . . . . 0.0 109.081 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.0 p -65.86 -40.29 91.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.042 -1.036 . . . . 0.0 109.546 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.2 -40.37 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.267 -0.896 . . . . 0.0 109.074 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -60.15 -44.38 95.01 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.515 -0.741 . . . . 0.0 110.341 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.82 -46.91 93.28 Favored Glycine 0 N--CA 1.489 2.197 0 C-N-CA 119.397 -1.383 . . . . 0.0 109.945 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.55 -49.92 75.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.124 -1.221 . . . . 0.0 110.008 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -60.51 -40.07 90.08 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.115 -0.991 . . . . 0.0 109.417 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -59.9 -40.11 87.66 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.318 -0.864 . . . . 0.0 109.315 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.94 -40.03 87.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.165 -0.959 . . . . 0.0 109.333 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -60.09 -40.0 88.1 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.155 -0.966 . . . . 0.0 109.49 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 57.9 p -59.84 -43.66 94.5 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.027 -1.046 . . . . 0.0 108.753 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.625 HH21 ' CG ' ' A' ' 82' ' ' ASN . 60.8 mtt-85 -63.81 -39.95 95.47 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.331 -0.855 . . . . 0.0 109.165 178.575 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.12 -45.31 95.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 C-N-CA 119.319 -0.953 . . . . 0.0 108.801 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 70.0 p -60.03 -42.19 93.87 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.027 -1.045 . . . . 0.0 109.912 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.3 96.6 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.089 -1.007 . . . . 0.0 108.934 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.09 -38.9 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.641 -0.662 . . . . 0.0 109.469 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -59.9 -40.46 88.85 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.334 -0.854 . . . . 0.0 109.56 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.2 -41.12 99.13 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.832 -1.147 . . . . 0.0 108.524 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.594 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 51.7 m-85 -66.9 -39.9 87.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.548 -0.72 . . . . 0.0 109.845 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 40.5 mt -59.83 -40.03 87.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.724 -1.235 . . . . 0.0 108.578 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.84 -39.69 85.98 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.924 -1.11 . . . . 0.0 109.015 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -59.65 -39.55 84.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.017 -1.052 . . . . 0.0 109.017 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.629 ' NE2' ' N ' ' C' ' 52' ' ' GLN . 0.0 OUTLIER -60.04 -39.93 87.6 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.834 -1.166 . . . . 0.0 109.356 -179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.81 -39.58 85.49 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.757 -1.214 . . . . 0.0 108.18 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.81 -39.78 86.2 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.287 -0.883 . . . . 0.0 108.92 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 55.3 mt -69.71 117.7 11.64 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.114 -0.991 . . . . 0.0 108.639 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 56' ' ' ASN . . . . . 0.572 ' ND2' ' O ' ' C' ' 70' ' ' VAL . 35.8 m120 -134.45 -69.6 0.52 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.348 -0.845 . . . . 0.0 110.57 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 57' ' ' ALA . . . . . 0.75 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -151.07 116.87 5.49 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.254 -0.904 . . . . 0.0 109.429 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 58' ' ' TRP . . . . . 0.795 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 90.5 m95 -100.56 129.85 46.55 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.458 -0.776 . . . . 0.0 110.162 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 59' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 60' ' ' ALA . . . 61.76 25.24 65.4 Favored Glycine 0 N--CA 1.49 2.257 0 C-N-CA 120.11 -1.043 . . . . 0.0 110.591 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 60' ' ' ALA . . . . . 0.423 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -76.56 24.01 0.15 Allowed 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.606 -1.526 . . . . 0.0 109.669 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 61' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.48 99.18 1.29 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.983 -1.073 . . . . 0.0 110.466 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 62' ' ' PHE . . . . . 0.468 ' HB3' HE22 ' A' ' 64' ' ' GLN . 43.9 m-85 -107.97 11.59 27.73 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.185 -0.947 . . . . 0.0 109.64 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -133.31 23.03 4.08 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 64' ' ' GLN . . . . . 0.414 HE22 ' HB3' ' B' ' 62' ' ' PHE . 29.9 mp0 -150.48 153.02 35.13 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.5 t -101.01 60.48 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.996 -1.065 . . . . 0.0 108.646 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.93 157.55 43.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.472 -0.768 . . . . 0.0 109.418 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -129.71 132.02 46.5 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.61 112.22 24.09 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.827 -1.171 . . . . 0.0 109.385 -179.219 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.49 121.62 44.82 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.572 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 55.5 t -123.94 83.1 55.35 Favored Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 121.341 -0.849 . . . . 0.0 110.286 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -86.62 62.66 4.61 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.992 2.461 . . . . 0.0 110.962 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' C' ' 73' ' ' PRO . 23.4 t90 -69.47 132.69 89.34 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.532 -0.73 . . . . 0.0 109.155 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.401 ' C ' ' O ' ' C' ' 72' ' ' TRP . 79.0 Cg_exo -38.44 149.06 0.08 OUTLIER 'Trans proline' 0 N--CA 1.488 1.162 0 C-N-CA 121.589 1.526 . . . . 0.0 110.978 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.53 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.2 OUTLIER -127.68 -54.54 1.33 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.271 -0.893 . . . . 0.0 110.027 -178.381 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.08 126.85 38.38 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.374 -0.829 . . . . 0.0 109.542 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 11.4 t -81.74 109.75 16.43 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 36.2 mt -83.59 136.3 34.29 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.759 0.79 . . . . 0.0 110.454 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.665 HG23 ' O ' ' C' ' 78' ' ' THR . 9.0 t -94.97 111.23 53.84 Favored Pre-proline 0 N--CA 1.492 1.675 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -91.15 -49.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.407 0 C-N-CA 121.821 1.681 . . . . 0.0 115.38 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -121.84 -42.82 2.38 Favored 'General case' 0 N--CA 1.507 2.401 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -176.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.658 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.9 p90 -59.9 -49.67 76.79 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.359 -1.463 . . . . 0.0 112.045 -175.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.658 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 63.3 t30 -70.89 -40.29 72.31 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.355 -1.465 . . . . 0.0 110.85 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -60.01 -50.2 74.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.937 -1.102 . . . . 0.0 110.604 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.73 -46.79 89.08 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.898 -1.126 . . . . 0.0 109.389 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 72.4 p -68.68 -40.24 80.2 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.446 -0.784 . . . . 0.0 110.168 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 -66.47 -40.01 89.12 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 118.865 -1.134 . . . . 0.0 109.506 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.15 -40.34 89.52 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 118.575 -1.25 . . . . 0.0 108.586 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.87 -40.69 93.93 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.086 -1.009 . . . . 0.0 108.709 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.576 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 65.9 t90 -60.03 -49.87 75.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.182 -0.949 . . . . 0.0 109.346 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -63.25 -41.75 99.09 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.176 -0.953 . . . . 0.0 109.411 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 91' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' C' ' 91' ' ' ARG . 52.4 mtt-85 -62.6 -43.41 98.88 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.169 -0.957 . . . . 0.0 110.431 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -60.26 -41.22 92.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.88 -1.138 . . . . 0.0 109.203 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.14 -40.29 88.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.368 -0.832 . . . . 0.0 109.182 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.86 -40.03 93.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.363 -0.835 . . . . 0.0 110.908 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -70.0 -39.98 75.56 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.776 -1.202 . . . . 0.0 109.608 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.86 -41.15 87.79 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.107 -0.996 . . . . 0.0 109.107 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 97' ' ' GLU . . . . . 0.429 ' O ' HG23 ' C' ' 101' ' ' THR . 86.6 tt0 -60.26 -48.19 82.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 108.948 179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.79 -42.86 99.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.386 -0.821 . . . . 0.0 109.7 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -64.45 -40.38 95.61 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.31 -0.869 . . . . 0.0 109.724 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 82.8 mt -67.55 -39.94 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.233 -0.917 . . . . 0.0 109.731 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 101' ' ' THR . . . . . 0.429 HG23 ' O ' ' C' ' 97' ' ' GLU . 42.2 p -63.63 -40.27 96.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.951 -1.093 . . . . 0.0 109.356 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.86 -49.98 75.28 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.229 -0.919 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 103' ' ' LEU . . . . . 0.413 HD11 ' HE ' ' B' ' 23' ' ' ARG . 98.3 mt -61.56 -41.67 97.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.06 -1.025 . . . . 0.0 109.686 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.96 -43.46 98.7 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.144 -0.973 . . . . 0.0 109.16 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.84 -47.76 84.41 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.201 -0.937 . . . . 0.0 109.651 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.03 -40.2 94.49 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.239 -0.913 . . . . 0.0 109.303 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.74 93.36 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.223 -0.923 . . . . 0.0 109.59 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.18 -48.17 82.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.183 -0.948 . . . . 0.0 109.261 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.87 -49.31 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -67.44 -40.05 85.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.5 -0.75 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -60.33 -50.09 75.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.031 -1.043 . . . . 0.0 109.945 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -62.42 -42.02 99.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.078 -1.014 . . . . 0.0 109.078 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -60.86 -42.77 98.53 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.442 -0.786 . . . . 0.0 110.128 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.1 -41.75 98.52 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.768 -1.208 . . . . 0.0 109.22 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -68.44 -40.63 81.06 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.027 -1.046 . . . . 0.0 108.642 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -60.18 -47.74 84.65 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.08 -40.13 92.53 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.379 -0.825 . . . . 0.0 109.185 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.4 -41.31 93.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.517 -0.739 . . . . 0.0 109.745 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.4 mt-30 -60.46 -41.33 93.92 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.007 -1.058 . . . . 0.0 109.643 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -60.16 -39.57 86.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.057 -1.027 . . . . 0.0 109.505 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.6 -49.38 78.0 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -116.02 59.03 0.73 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.64 -0.662 . . . . 0.0 109.338 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.407 ' N ' ' O ' ' C' ' 119' ' ' GLN . 3.1 t . . . . . 0 N--CA 1.494 1.75 0 O-C-N 120.987 -1.071 . . . . 0.0 109.494 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -69.53 145.04 52.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.286 -0.884 . . . . 0.0 109.792 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 m -89.17 63.19 6.49 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.347 -0.846 . . . . 0.0 109.04 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.13 -40.07 94.7 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.567 -0.708 . . . . 0.0 109.263 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.501 HG23 ' N ' ' A' ' 6' ' ' LEU . 12.9 t -60.14 -42.26 94.46 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.139 -0.976 . . . . 0.0 109.046 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.501 ' N ' HG23 ' A' ' 5' ' ' THR . 64.4 tp -61.52 -41.35 97.19 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.393 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.9 mt -63.73 -39.15 93.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.499 -0.751 . . . . 0.0 109.325 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.35 91.88 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.062 -1.024 . . . . 0.0 108.616 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.53 -46.81 73.84 Favored Glycine 0 N--CA 1.486 2.015 0 N-CA-C 108.539 -1.824 . . . . 0.0 108.539 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.08 -50.02 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.471 -1.017 . . . . 0.0 109.387 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 69.2 t -60.5 -44.45 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.165 -0.959 . . . . 0.0 108.956 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.23 -40.18 93.06 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.48 -0.763 . . . . 0.0 109.207 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.03 -41.87 93.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.392 -0.817 . . . . 0.0 109.392 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -60.17 -40.69 90.81 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.054 -1.029 . . . . 0.0 109.543 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -60.19 -43.35 95.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.886 . . . . 0.0 108.613 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -62.11 -45.9 91.44 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.246 -0.909 . . . . 0.0 109.55 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.2 -43.85 95.6 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.216 -0.928 . . . . 0.0 109.055 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.89 -45.27 93.04 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.292 -0.88 . . . . 0.0 108.951 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -60.14 -47.13 87.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.384 -0.822 . . . . 0.0 109.722 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.08 -40.47 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.076 -1.015 . . . . 0.0 109.842 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -42.36 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.07 -1.019 . . . . 0.0 108.395 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -60.45 -40.37 90.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.536 -0.727 . . . . 0.0 109.122 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -60.11 -40.17 88.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.31 -0.869 . . . . 0.0 109.091 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -61.28 -39.97 92.41 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.22 -0.925 . . . . 0.0 109.438 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -60.13 -49.34 78.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.256 -0.902 . . . . 0.0 108.987 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.9 -44.28 97.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.333 -0.854 . . . . 0.0 109.36 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.05 -40.46 95.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.563 -0.711 . . . . 0.0 109.388 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.47 -40.67 92.09 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.275 -0.891 . . . . 0.0 109.709 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -60.56 -41.06 93.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.097 -1.002 . . . . 0.0 109.389 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.546 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.3 mt -61.32 -41.24 96.69 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.568 -0.707 . . . . 0.0 109.825 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -65.85 -40.02 91.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.095 -1.003 . . . . 0.0 109.557 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.11 -40.46 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.09 -1.006 . . . . 0.0 109.204 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -59.8 -43.8 94.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.291 -0.881 . . . . 0.0 109.919 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.47 -49.09 82.27 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.51 -50.06 75.06 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.158 -1.201 . . . . 0.0 110.272 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -61.35 -40.4 94.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.138 -0.976 . . . . 0.0 109.769 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.504 HD21 HH21 ' A' ' 41' ' ' ARG . 41.0 t30 -59.99 -41.58 92.37 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.254 -0.904 . . . . 0.0 109.64 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.19 -40.06 88.7 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.151 -0.968 . . . . 0.0 109.48 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.16 -42.47 95.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.043 -1.035 . . . . 0.0 109.645 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.4 p -60.15 -40.54 90.24 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.97 -1.081 . . . . 0.0 108.377 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.511 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 44.1 mtt-85 -67.66 -40.03 84.53 Favored 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.609 -0.836 . . . . 0.0 108.76 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.0 -41.58 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.9 p -60.09 -40.15 88.61 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.919 -1.113 . . . . 0.0 109.465 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.86 97.12 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.021 -1.049 . . . . 0.0 108.487 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.0 mt -61.51 -37.17 77.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.792 -0.568 . . . . 0.0 109.555 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.11 -40.1 88.51 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.17 -0.956 . . . . 0.0 108.91 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -64.55 -42.57 95.63 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.282 -0.886 . . . . 0.0 109.734 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.585 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 57.1 m-85 -67.87 -39.91 83.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.206 -0.934 . . . . 0.0 110.368 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.571 ' CD2' HE22 ' A' ' 52' ' ' GLN . 44.0 mt -60.17 -40.17 88.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.674 -1.266 . . . . 0.0 108.955 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -60.54 -40.08 90.24 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.643 -1.286 . . . . 0.0 108.952 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -59.98 -39.84 87.07 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.297 -0.877 . . . . 0.0 109.817 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.571 HE22 ' CD2' ' A' ' 49' ' ' LEU . 1.6 pt20 -59.69 -38.64 82.11 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.07 -1.018 . . . . 0.0 108.837 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.85 -39.19 80.55 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.931 -1.105 . . . . 0.0 108.041 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.01 -39.51 86.04 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.8 mt -70.53 117.96 12.73 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.077 -1.014 . . . . 0.0 108.684 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -133.19 -63.05 0.78 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.336 -0.852 . . . . 0.0 110.599 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.752 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -154.57 117.83 4.5 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.152 -0.967 . . . . 0.0 109.67 -178.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.759 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 65.6 m95 -101.43 124.27 46.83 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.398 -0.814 . . . . 0.0 110.628 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.53 22.98 75.31 Favored Glycine 0 N--CA 1.493 2.469 0 O-C-N 121.101 -1.0 . . . . 0.0 110.794 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.58 24.24 0.21 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.752 -1.44 . . . . 0.0 110.146 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.93 110.69 2.4 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.885 -1.135 . . . . 0.0 110.398 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.438 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 36.3 m-85 -117.45 11.95 14.04 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.335 -0.853 . . . . 0.0 109.388 178.028 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -137.79 23.85 2.86 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 177.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.405 ' NE2' ' CG ' ' C' ' 62' ' ' PHE . 17.4 mp0 -146.44 151.77 37.95 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.0 t -101.44 57.28 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.914 -1.116 . . . . 0.0 108.234 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.24 158.28 42.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.695 -0.628 . . . . 0.0 109.757 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -128.33 133.89 48.78 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.589 ' O ' HG23 ' A' ' 68' ' ' THR . 9.4 t -89.45 113.2 24.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.5 -1.375 . . . . 0.0 109.669 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 122.75 47.39 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.3 t -128.68 82.68 68.15 Favored Pre-proline 0 N--CA 1.497 1.881 0 O-C-N 121.255 -0.903 . . . . 0.0 109.536 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -87.35 60.84 3.77 Favored 'Trans proline' 0 C--N 1.312 -1.363 0 C-N-CA 122.972 2.448 . . . . 0.0 111.332 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' PRO . 17.0 t90 -69.53 129.95 91.05 Favored Pre-proline 0 C--N 1.299 -1.605 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' TRP . 91.0 Cg_exo -41.09 148.03 0.26 Allowed 'Trans proline' 0 N--CA 1.489 1.209 0 C-N-CA 121.235 1.29 . . . . 0.0 110.811 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 10.8 t-20 -125.36 -53.55 1.59 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.386 -0.822 . . . . 0.0 109.316 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.8 124.95 34.15 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.2 t -81.85 107.14 14.34 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.5 mt -81.72 136.47 35.46 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.835 0.826 . . . . 0.0 110.156 -178.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 78' ' ' THR . 2.0 t -94.03 113.04 59.59 Favored Pre-proline 0 C--N 1.298 -1.672 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -87.61 -47.73 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 121.622 1.548 . . . . 0.0 114.393 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -120.94 -44.57 2.41 Favored 'General case' 0 N--CA 1.51 2.545 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -177.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.58 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.1 p90 -59.94 -45.23 93.29 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.368 -1.458 . . . . 0.0 112.766 -175.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.58 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.3 t30 -75.11 -46.93 31.27 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.118 -1.614 . . . . 0.0 110.434 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.95 -50.25 74.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.322 -0.861 . . . . 0.0 110.698 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.54 -45.12 95.02 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.912 -1.117 . . . . 0.0 109.264 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.5 p -68.28 -39.94 81.98 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.284 -0.885 . . . . 0.0 109.902 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -66.84 -39.83 87.76 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.0 -1.063 . . . . 0.0 109.255 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -59.95 -41.08 91.08 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.689 -1.257 . . . . 0.0 108.901 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.18 -39.95 96.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.105 -0.997 . . . . 0.0 108.756 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.526 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 72.5 t90 -60.01 -50.15 74.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.455 -0.778 . . . . 0.0 109.45 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -62.1 -42.39 99.18 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.094 -1.004 . . . . 0.0 109.605 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HG2' HH11 ' A' ' 91' ' ' ARG . 0.9 OUTLIER -61.16 -42.21 98.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.349 -0.844 . . . . 0.0 110.367 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -60.16 -42.56 95.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.826 -1.171 . . . . 0.0 109.406 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -61.04 -41.39 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.228 -0.92 . . . . 0.0 109.085 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -59.98 -45.42 92.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.198 -0.939 . . . . 0.0 110.139 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -61.27 -42.68 99.05 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.919 -1.113 . . . . 0.0 109.544 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.65 -40.36 92.38 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 119.601 -0.84 . . . . 0.0 109.569 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 101' ' ' THR . 98.6 mt-10 -64.87 -40.13 94.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.015 -1.053 . . . . 0.0 109.683 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.3 -39.95 77.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 0.0 109.714 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -67.33 -40.26 85.9 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.16 -0.962 . . . . 0.0 109.956 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.69 -40.26 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.126 -0.984 . . . . 0.0 109.369 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 97' ' ' GLU . 24.2 p -63.07 -40.87 98.97 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.153 -0.967 . . . . 0.0 109.897 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.11 -43.0 96.64 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.048 -1.033 . . . . 0.0 109.861 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.97 -40.49 91.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.189 -0.944 . . . . 0.0 109.446 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.45 -41.16 96.69 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.232 -0.917 . . . . 0.0 109.027 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.02 -50.17 74.8 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.311 -0.868 . . . . 0.0 109.57 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.56 -41.33 98.84 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.272 -0.892 . . . . 0.0 108.968 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.33 82.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.463 -0.773 . . . . 0.0 109.802 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.56 -45.4 94.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.25 -0.906 . . . . 0.0 109.49 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.9 mt -60.33 -49.57 83.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.306 -0.871 . . . . 0.0 109.019 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -67.77 -40.02 84.08 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.118 -0.988 . . . . 0.0 110.203 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -59.95 -44.52 94.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.01 -1.056 . . . . 0.0 110.053 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.65 -39.94 88.45 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.159 -0.963 . . . . 0.0 109.382 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -66.37 -39.96 89.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 0.0 109.736 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -62.46 -42.36 99.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -0.921 . . . . 0.0 109.669 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 26.2 ttt -68.66 -40.13 80.34 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.051 -1.03 . . . . 0.0 108.642 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -60.56 -48.57 81.19 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.421 -0.799 . . . . 0.0 109.384 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.06 -40.11 88.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.277 -0.889 . . . . 0.0 109.366 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.86 -42.32 93.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.357 -0.839 . . . . 0.0 109.606 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.7 mt-30 -61.74 -40.65 95.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.059 -1.026 . . . . 0.0 109.598 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -60.21 -39.1 85.4 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.244 -0.91 . . . . 0.0 109.402 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 88.4 mt -58.43 -48.63 80.07 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -121.82 59.87 0.98 Allowed 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.493 1.695 0 O-C-N 120.989 -1.07 . . . . 0.0 109.111 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.164 0.507 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -69.77 144.85 52.57 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.432 -0.793 . . . . 0.0 109.676 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.3 m -88.89 63.11 6.65 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.37 -0.831 . . . . 0.0 109.084 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.04 -40.03 94.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.565 -0.71 . . . . 0.0 109.211 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.512 HG23 ' N ' ' B' ' 6' ' ' LEU . 13.2 t -60.44 -41.95 95.1 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.196 -0.94 . . . . 0.0 108.934 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.512 ' N ' HG23 ' B' ' 5' ' ' THR . 63.1 tp -61.97 -40.7 96.5 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.19 -39.63 94.4 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.574 -0.704 . . . . 0.0 109.142 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -41.12 90.36 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.052 -1.03 . . . . 0.0 108.47 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.77 -46.8 71.71 Favored Glycine 0 N--CA 1.485 1.925 0 N-CA-C 108.546 -1.821 . . . . 0.0 108.546 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.14 -49.98 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.394 -1.063 . . . . 0.0 109.438 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 68.5 t -60.14 -44.32 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.384 -0.822 . . . . 0.0 108.958 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.6 -39.96 93.09 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.525 -0.735 . . . . 0.0 109.169 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.431 HE22 ' HA ' ' C' ' 107' ' ' ALA . 5.4 tp-100 -60.12 -41.96 93.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.338 -0.851 . . . . 0.0 109.385 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -60.1 -40.75 90.73 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.041 -1.037 . . . . 0.0 109.336 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -60.02 -43.28 95.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.073 -1.017 . . . . 0.0 108.896 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -62.01 -46.25 90.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 109.433 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.02 -43.9 94.96 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.245 -0.909 . . . . 0.0 109.211 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.87 -45.43 92.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.279 -0.888 . . . . 0.0 108.994 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.02 -46.98 87.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.308 -0.87 . . . . 0.0 109.695 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.05 -40.76 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.988 -1.07 . . . . 0.0 109.84 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.08 -41.81 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.55 -40.38 91.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.429 -0.794 . . . . 0.0 109.118 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -60.38 -40.06 89.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.365 -0.834 . . . . 0.0 109.124 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -61.1 -40.15 92.66 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 119.718 -0.793 . . . . 0.0 109.599 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -60.09 -49.44 77.63 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.344 -0.848 . . . . 0.0 108.993 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.55 -44.35 96.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.343 -0.848 . . . . 0.0 109.422 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.3 tp -62.05 -40.6 96.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.455 -0.778 . . . . 0.0 109.532 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.12 -41.01 91.71 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.364 -0.835 . . . . 0.0 109.529 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 mtt-85 -60.61 -41.4 94.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.143 -0.973 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.526 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 84.8 mt -61.06 -41.06 95.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.11 -0.994 . . . . 0.0 110.025 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 79.8 p -65.76 -39.89 91.51 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.128 -0.982 . . . . 0.0 109.534 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.74 -40.04 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.056 -1.028 . . . . 0.0 109.223 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -60.06 -44.1 94.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.421 -0.799 . . . . 0.0 109.886 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.37 -48.93 83.59 Favored Glycine 0 N--CA 1.484 1.871 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.83 -49.99 75.25 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.101 -1.235 . . . . 0.0 110.132 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -61.33 -40.58 94.78 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.986 -1.071 . . . . 0.0 109.787 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.521 HD21 HH21 ' B' ' 41' ' ' ARG . 40.5 t30 -60.0 -40.77 90.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.238 -0.913 . . . . 0.0 109.644 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.91 -40.0 91.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.215 -0.928 . . . . 0.0 109.368 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.24 -42.15 94.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.125 -0.984 . . . . 0.0 109.541 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' B' ' 43' ' ' THR . 76.5 p -60.05 -40.63 90.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.022 -1.049 . . . . 0.0 108.581 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.521 HH21 HD21 ' B' ' 37' ' ' ASN . 44.7 mtt-85 -67.7 -39.98 84.33 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.1 -41.45 86.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' B' ' 40' ' ' THR . 72.6 p -60.28 -40.04 89.01 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.883 -1.136 . . . . 0.0 109.321 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -42.79 97.74 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.004 -1.06 . . . . 0.0 108.463 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.62 -36.97 76.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.764 -0.585 . . . . 0.0 109.647 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.11 88.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.005 -1.059 . . . . 0.0 108.916 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -64.7 -42.7 95.11 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.887 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.57 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 59.2 m-85 -67.63 -40.02 84.64 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.286 -0.884 . . . . 0.0 110.128 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.578 ' CD2' HE22 ' B' ' 52' ' ' GLN . 42.6 mt -60.04 -40.38 89.2 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.795 -1.191 . . . . 0.0 109.046 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -60.05 -40.25 88.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.77 -1.207 . . . . 0.0 109.125 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -59.97 -39.54 86.04 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.564 -0.71 . . . . 0.0 109.626 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.578 HE22 ' CD2' ' B' ' 49' ' ' LEU . 1.6 pt20 -59.93 -38.77 83.33 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.709 -1.244 . . . . 0.0 109.013 -179.215 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.403 ' N ' ' HG2' ' B' ' 52' ' ' GLN . . . -58.91 -38.9 79.99 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 120.807 -1.183 . . . . 0.0 107.841 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.05 -39.6 86.52 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.305 -0.872 . . . . 0.0 109.055 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 41.1 mt -70.73 117.97 12.93 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.132 -0.98 . . . . 0.0 108.626 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -133.2 -62.7 0.79 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.4 -0.813 . . . . 0.0 110.647 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.759 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.64 117.72 4.45 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.066 -1.021 . . . . 0.0 109.672 -178.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' TRP . . . . . 0.768 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 65.5 m95 -101.3 123.74 45.88 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.418 -0.801 . . . . 0.0 110.666 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.12 23.1 76.24 Favored Glycine 0 N--CA 1.497 2.703 0 C-N-CA 120.261 -0.971 . . . . 0.0 110.824 178.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.78 24.43 0.22 Allowed 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.941 -1.329 . . . . 0.0 110.228 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.401 ' HB1' ' OE1' ' B' ' 64' ' ' GLN . . . -157.98 109.93 2.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.803 -1.186 . . . . 0.0 110.461 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.447 ' CG ' ' NE2' ' C' ' 64' ' ' GLN . 35.0 m-85 -116.64 11.71 14.76 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.208 -0.932 . . . . 0.0 109.018 178.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -137.49 23.69 2.93 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLN . . . . . 0.438 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 18.0 mp0 -146.58 151.94 38.13 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 t -101.04 57.3 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.075 -1.016 . . . . 0.0 108.455 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.34 158.27 42.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.623 -0.673 . . . . 0.0 109.666 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -128.33 133.71 48.75 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.578 HG23 ' O ' ' B' ' 68' ' ' THR . 9.5 t -89.37 113.24 24.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.653 -1.28 . . . . 0.0 109.653 -178.373 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.02 122.82 47.38 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 90.9 t -128.73 82.32 68.92 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 121.345 -0.847 . . . . 0.0 109.706 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -87.08 61.43 4.05 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 C-N-CA 122.993 2.462 . . . . 0.0 111.199 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' B' ' 73' ' ' PRO . 17.6 t90 -70.1 129.89 90.26 Favored Pre-proline 0 C--N 1.301 -1.504 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.411 ' C ' ' O ' ' B' ' 72' ' ' TRP . 98.6 Cg_exo -41.21 147.91 0.29 Allowed 'Trans proline' 0 N--CA 1.487 1.1 0 C-N-CA 121.142 1.228 . . . . 0.0 110.887 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.585 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 10.7 t-20 -125.3 -53.16 1.61 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.247 -0.908 . . . . 0.0 109.416 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.95 125.07 34.31 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 38.8 t -81.86 107.66 14.76 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.7 mt -81.92 136.71 35.29 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.906 0.86 . . . . 0.0 110.185 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.4 ' O ' HG23 ' B' ' 78' ' ' THR . 1.8 t -94.12 112.84 58.94 Favored Pre-proline 0 N--CA 1.492 1.641 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -87.16 -47.66 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.169 0 C-N-CA 121.683 1.589 . . . . 0.0 114.475 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -121.23 -44.43 2.38 Favored 'General case' 0 N--CA 1.509 2.501 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -176.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.589 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -60.07 -45.75 91.86 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.508 -1.37 . . . . 0.0 112.709 -175.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.589 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.3 t30 -74.71 -46.56 36.77 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.128 -1.608 . . . . 0.0 110.583 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -60.08 -50.08 75.11 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.299 -0.876 . . . . 0.0 110.909 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.68 -45.16 95.21 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.789 -1.194 . . . . 0.0 109.284 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.8 p -68.36 -40.07 81.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.213 -0.93 . . . . 0.0 109.918 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -66.27 -40.07 89.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.046 -1.034 . . . . 0.0 109.211 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -60.0 -41.19 91.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.784 -1.198 . . . . 0.0 108.72 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.33 -40.0 96.09 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.16 -0.962 . . . . 0.0 108.527 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.546 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 72.6 t90 -60.06 -49.91 75.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.399 -0.813 . . . . 0.0 109.443 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -62.49 -42.35 99.44 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.063 -1.023 . . . . 0.0 109.73 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.484 ' HG2' HH11 ' B' ' 91' ' ' ARG . 0.9 OUTLIER -60.93 -42.46 98.21 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.121 -0.987 . . . . 0.0 110.247 -179.872 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -59.96 -42.46 94.13 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.83 -1.169 . . . . 0.0 109.615 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.27 -41.7 90.66 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.384 -0.823 . . . . 0.0 108.941 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.01 -45.1 93.86 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.229 -0.919 . . . . 0.0 109.874 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -61.46 -42.32 98.58 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.722 -1.236 . . . . 0.0 109.642 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.28 -40.11 89.86 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.073 -1.017 . . . . 0.0 109.46 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 97' ' ' GLU . . . . . 0.416 ' O ' HG23 ' B' ' 101' ' ' THR . 98.8 mt-10 -64.69 -40.06 94.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.045 -1.035 . . . . 0.0 109.846 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.39 -40.1 77.58 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.055 -1.028 . . . . 0.0 109.75 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.411 HD21 ' HA ' ' B' ' 99' ' ' ASN . 10.3 m120 -67.16 -39.95 86.58 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.935 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.9 mt -66.32 -40.2 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.25 -0.906 . . . . 0.0 109.344 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 101' ' ' THR . . . . . 0.416 HG23 ' O ' ' B' ' 97' ' ' GLU . 24.3 p -62.55 -41.42 98.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.242 -0.911 . . . . 0.0 109.77 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.61 96.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.219 -0.926 . . . . 0.0 109.778 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.79 -40.61 92.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.125 -0.984 . . . . 0.0 109.524 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.38 -40.97 96.86 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.095 -1.003 . . . . 0.0 108.998 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.16 -49.82 76.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.466 -0.771 . . . . 0.0 109.388 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.09 -41.23 99.35 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.086 -1.008 . . . . 0.0 108.952 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.9 79.73 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.341 -0.849 . . . . 0.0 109.722 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.09 -45.7 92.05 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.171 -0.955 . . . . 0.0 109.599 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.09 -49.28 84.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.219 -0.926 . . . . 0.0 109.13 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -67.94 -40.08 83.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.071 -1.018 . . . . 0.0 110.366 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -59.93 -44.88 94.08 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.283 -0.885 . . . . 0.0 109.937 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -66.01 -40.31 91.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.001 -1.062 . . . . 0.0 109.376 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -66.04 -40.27 90.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.108 -0.995 . . . . 0.0 109.536 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -62.48 -42.04 99.21 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.113 -0.992 . . . . 0.0 109.864 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 26.2 ttt -68.9 -39.94 79.45 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.129 -0.982 . . . . 0.0 108.689 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -60.34 -49.14 78.78 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.439 -0.788 . . . . 0.0 109.475 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.02 -40.12 88.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.245 -0.91 . . . . 0.0 109.103 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.01 -42.28 93.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.25 -0.906 . . . . 0.0 109.606 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.6 mt-30 -61.76 -40.07 93.84 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.096 -1.002 . . . . 0.0 109.845 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.18 -39.64 87.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.149 -0.969 . . . . 0.0 109.512 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.21 -49.2 77.88 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -121.35 59.91 0.95 Allowed 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.436 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.215 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -69.28 145.01 53.43 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.037 -1.039 . . . . 0.0 109.907 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 7.0 m -89.21 62.82 6.32 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.327 -0.858 . . . . 0.0 108.827 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.09 -40.07 94.61 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.617 -0.677 . . . . 0.0 109.315 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.517 HG23 ' N ' ' C' ' 6' ' ' LEU . 12.8 t -60.23 -42.22 94.78 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.269 -0.894 . . . . 0.0 109.013 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.517 ' N ' HG23 ' C' ' 5' ' ' THR . 64.4 tp -61.71 -40.91 96.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.106 -0.996 . . . . 0.0 108.367 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.01 -39.22 93.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.594 -0.692 . . . . 0.0 109.291 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -41.68 92.25 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.51 -46.63 75.62 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 108.797 -1.721 . . . . 0.0 108.797 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.17 -50.04 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.383 -1.069 . . . . 0.0 109.409 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 69.6 t -60.17 -44.42 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.115 -0.99 . . . . 0.0 108.903 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.02 -40.13 92.42 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.651 -0.656 . . . . 0.0 109.329 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.18 -41.88 93.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.864 . . . . 0.0 109.341 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -60.28 -40.66 91.2 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.146 -0.971 . . . . 0.0 109.465 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.14 -43.63 95.57 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.15 -0.969 . . . . 0.0 108.52 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -61.61 -46.08 91.35 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.254 -0.903 . . . . 0.0 109.545 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.18 -43.77 95.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.305 -0.872 . . . . 0.0 109.202 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.05 -45.09 94.0 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.395 -0.816 . . . . 0.0 108.988 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -60.42 -47.22 87.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.918 . . . . 0.0 109.543 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 78.8 t -59.97 -40.34 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.057 -1.027 . . . . 0.0 109.766 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.17 -42.03 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 120.897 -1.127 . . . . 0.0 108.542 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -60.47 -40.17 90.28 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -60.27 -40.48 90.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.235 -0.916 . . . . 0.0 108.948 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.93 -40.13 92.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.217 -0.927 . . . . 0.0 109.575 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -59.91 -49.61 77.0 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.13 -0.981 . . . . 0.0 109.118 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.4 -44.47 95.66 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.323 -0.86 . . . . 0.0 109.314 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.6 tp -62.04 -40.97 97.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.38 -0.825 . . . . 0.0 109.448 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.01 -40.64 89.95 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.238 -0.913 . . . . 0.0 109.537 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 29' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' C' ' 29' ' ' ARG . 54.7 mtt-85 -60.97 -40.54 93.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.114 -0.991 . . . . 0.0 109.541 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.526 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 86.1 mt -61.77 -40.69 96.05 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.146 -0.972 . . . . 0.0 109.864 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.5 p -65.9 -40.03 91.13 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.14 -0.975 . . . . 0.0 109.493 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.55 -40.08 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.153 -0.967 . . . . 0.0 109.215 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -59.93 -44.15 94.52 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.361 -0.837 . . . . 0.0 109.923 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.29 -49.61 76.66 Favored Glycine 0 N--CA 1.485 1.923 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.1 -49.83 76.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.173 -1.192 . . . . 0.0 110.218 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -61.6 -40.22 94.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.976 -1.078 . . . . 0.0 110.057 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.522 HD21 HH21 ' C' ' 41' ' ' ARG . 41.0 t30 -60.38 -40.48 91.01 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.3 -0.875 . . . . 0.0 109.715 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.15 -40.2 92.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.346 -0.846 . . . . 0.0 109.368 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.3 -42.0 94.61 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.93 . . . . 0.0 109.585 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 68.1 p -60.14 -40.84 91.21 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.943 -1.098 . . . . 0.0 108.557 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.522 HH21 HD21 ' C' ' 37' ' ' ASN . 44.3 mtt-85 -67.47 -40.05 85.3 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.94 -41.58 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 119.751 -0.78 . . . . 0.0 108.986 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 74.8 p -59.98 -40.85 90.53 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.118 -0.989 . . . . 0.0 109.277 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.93 96.3 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.079 -1.013 . . . . 0.0 108.466 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.4 mt -61.62 -36.63 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.622 -0.674 . . . . 0.0 109.766 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.25 -40.49 90.47 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 108.657 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -64.25 -42.75 96.36 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.034 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 59.0 m-85 -67.72 -39.81 84.28 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.168 -0.958 . . . . 0.0 110.31 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 49' ' ' LEU . . . . . 0.577 ' CD2' HE22 ' C' ' 52' ' ' GLN . 43.9 mt -60.04 -40.62 90.04 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.662 -1.274 . . . . 0.0 109.054 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -60.21 -39.98 88.53 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.703 -1.248 . . . . 0.0 109.035 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.26 -39.63 87.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.352 -0.842 . . . . 0.0 109.746 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.577 HE22 ' CD2' ' C' ' 49' ' ' LEU . 1.6 pt20 -59.8 -38.26 81.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.97 -1.081 . . . . 0.0 108.946 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 53' ' ' ALA . . . . . 0.401 ' N ' ' HG2' ' C' ' 52' ' ' GLN . . . -59.32 -39.21 82.37 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.04 -39.56 86.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.335 -0.853 . . . . 0.0 108.906 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -70.82 117.95 12.98 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.131 -0.98 . . . . 0.0 108.599 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -133.17 -62.56 0.79 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.279 -0.888 . . . . 0.0 110.528 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 57' ' ' ALA . . . . . 0.768 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -154.7 117.64 4.41 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.158 -0.964 . . . . 0.0 109.98 -178.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 58' ' ' TRP . . . . . 0.752 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 63.6 m95 -101.25 123.68 45.74 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.342 -0.849 . . . . 0.0 110.874 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.92 23.31 75.93 Favored Glycine 0 N--CA 1.493 2.5 0 C-N-CA 120.079 -1.057 . . . . 0.0 110.661 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.73 24.22 0.22 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.763 -1.434 . . . . 0.0 110.04 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.74 110.48 2.42 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.836 -1.165 . . . . 0.0 110.442 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 62' ' ' PHE . . . . . 0.405 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 36.8 m-85 -117.04 11.78 14.35 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 121.335 -0.853 . . . . 0.0 109.338 177.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -137.8 24.05 2.85 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 177.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 64' ' ' GLN . . . . . 0.447 ' NE2' ' CG ' ' B' ' 62' ' ' PHE . 18.0 mp0 -146.39 152.0 38.37 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 t -101.29 57.28 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.947 -1.095 . . . . 0.0 108.105 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.27 158.29 42.6 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.627 -0.671 . . . . 0.0 109.695 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -128.52 133.84 48.52 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.597 HG23 ' O ' ' C' ' 68' ' ' THR . 9.0 t -89.47 113.18 24.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.634 -1.291 . . . . 0.0 109.624 -178.39 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.78 122.81 47.52 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.81 82.91 67.72 Favored Pre-proline 0 N--CA 1.496 1.825 0 O-C-N 121.362 -0.837 . . . . 0.0 109.481 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -87.52 61.49 3.71 Favored 'Trans proline' 0 C--N 1.314 -1.286 0 C-N-CA 122.845 2.363 . . . . 0.0 111.35 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -69.92 129.7 90.71 Favored Pre-proline 0 C--N 1.301 -1.528 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -41.11 147.98 0.26 Allowed 'Trans proline' 0 N--CA 1.488 1.181 0 C-N-CA 121.255 1.303 . . . . 0.0 110.92 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.57 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 10.6 t-20 -125.42 -53.33 1.59 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.259 -0.901 . . . . 0.0 109.274 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.63 125.14 34.2 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.047 -1.033 . . . . 0.0 108.216 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 40.7 t -82.02 107.2 14.54 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 28.4 mt -81.87 136.3 35.36 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.776 0.798 . . . . 0.0 110.222 -178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -93.73 113.09 59.47 Favored Pre-proline 0 C--N 1.299 -1.612 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -87.61 -48.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.138 0 C-N-CA 121.786 1.657 . . . . 0.0 114.41 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -120.7 -45.1 2.41 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.03 -1.044 . . . . 0.0 113.47 -177.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.586 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.1 p90 -59.74 -45.38 92.37 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.419 -1.426 . . . . 0.0 112.747 -175.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.586 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.4 t30 -74.95 -46.69 33.88 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.018 -1.677 . . . . 0.0 110.71 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -60.03 -50.44 73.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 110.845 -178.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.38 -44.71 95.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.877 -1.139 . . . . 0.0 109.256 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 46.6 p -68.77 -40.04 79.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.162 -0.962 . . . . 0.0 109.747 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -66.45 -39.85 89.11 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.873 -1.142 . . . . 0.0 109.386 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -60.07 -40.82 90.85 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.685 -1.259 . . . . 0.0 108.847 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.2 -40.0 96.25 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.123 -0.986 . . . . 0.0 108.721 178.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.526 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 72.8 t90 -60.03 -49.84 76.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.422 -0.798 . . . . 0.0 109.524 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -62.37 -42.62 99.55 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.246 -0.909 . . . . 0.0 109.511 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 91' ' ' ARG . . . . . 0.491 HH11 ' HG2' ' C' ' 91' ' ' ARG . 1.0 OUTLIER -61.25 -42.38 98.53 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.253 -0.904 . . . . 0.0 110.174 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.14 -42.83 95.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.653 -1.279 . . . . 0.0 109.445 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.76 -41.73 89.56 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.165 -0.959 . . . . 0.0 109.077 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.96 -45.5 92.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.13 -0.981 . . . . 0.0 109.988 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -61.02 -42.43 98.45 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.867 -1.146 . . . . 0.0 109.66 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.08 -40.2 90.66 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.194 -0.941 . . . . 0.0 109.421 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.81 -40.23 94.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.959 -1.088 . . . . 0.0 109.895 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.14 -39.95 78.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.929 . . . . 0.0 109.738 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -67.48 -40.04 85.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.05 -1.031 . . . . 0.0 109.831 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 89.6 mt -65.97 -40.03 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 120.986 -1.071 . . . . 0.0 109.413 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 24.2 p -62.84 -41.64 99.43 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.049 -1.032 . . . . 0.0 109.884 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.89 96.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.329 -0.857 . . . . 0.0 109.533 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.43 -40.45 93.31 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.085 -1.009 . . . . 0.0 109.626 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.35 -41.26 96.84 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.296 -0.878 . . . . 0.0 108.941 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.21 -49.71 76.56 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.326 -0.859 . . . . 0.0 109.507 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.84 -41.58 99.39 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.134 -0.979 . . . . 0.0 108.916 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 107' ' ' ALA . . . . . 0.431 ' HA ' HE22 ' B' ' 13' ' ' GLN . . . -60.36 -48.7 80.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.43 -0.794 . . . . 0.0 109.833 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.22 -45.6 92.65 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.256 -0.902 . . . . 0.0 109.617 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.6 mt -60.11 -49.51 83.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 121.419 -0.8 . . . . 0.0 109.242 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -67.9 -39.93 83.53 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.461 -0.775 . . . . 0.0 110.261 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -60.04 -44.97 94.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.175 -0.953 . . . . 0.0 109.973 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.92 -39.99 91.06 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.055 -1.028 . . . . 0.0 109.397 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -66.52 -39.97 88.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.334 -0.854 . . . . 0.0 109.856 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -62.63 -42.04 99.37 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.318 -0.864 . . . . 0.0 109.806 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 26.3 ttt -68.79 -40.4 79.64 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.017 -1.052 . . . . 0.0 108.599 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -60.06 -48.68 80.71 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.613 -0.68 . . . . 0.0 109.574 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.28 -40.0 88.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.487 -0.758 . . . . 0.0 109.42 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.09 -41.89 93.49 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.379 -0.826 . . . . 0.0 109.481 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.4 mt-30 -62.16 -40.51 96.25 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.941 -1.099 . . . . 0.0 109.766 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -60.09 -38.98 84.55 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.272 -0.893 . . . . 0.0 109.452 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 89.6 mt -58.61 -48.78 79.81 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -121.87 60.07 0.98 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.428 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.3 t . . . . . 0 N--CA 1.496 1.86 0 O-C-N 120.989 -1.069 . . . . 0.0 109.276 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.333 0.587 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.59 144.43 53.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.429 -0.795 . . . . 0.0 109.563 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -89.32 59.47 4.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.27 -0.894 . . . . 0.0 109.238 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -63.48 -39.96 95.84 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.434 -0.792 . . . . 0.0 109.132 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.523 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.8 t -59.95 -43.83 94.76 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.364 -0.835 . . . . 0.0 109.595 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.523 ' N ' HG23 ' A' ' 5' ' ' THR . 61.8 tp -62.6 -42.37 99.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.979 -1.075 . . . . 0.0 108.592 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.3 mt -60.76 -39.95 90.68 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.508 -0.745 . . . . 0.0 110.255 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.06 -1.025 . . . . 0.0 108.564 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.87 -45.4 57.81 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -49.61 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.283 -1.128 . . . . 0.0 109.963 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.05 -42.5 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 120.846 -1.159 . . . . 0.0 108.494 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -61.06 -40.01 92.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.375 -0.828 . . . . 0.0 109.893 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.544 ' OE1' ' NE2' ' B' ' 110' ' ' GLN . 34.6 tp60 -59.98 -41.87 92.97 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.259 -0.9 . . . . 0.0 109.386 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -61.91 -40.62 96.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.119 -0.988 . . . . 0.0 109.066 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.15 -43.79 95.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.34 -0.85 . . . . 0.0 109.173 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.9 -42.63 98.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.346 -0.846 . . . . 0.0 108.942 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.5 mt -64.28 -40.9 96.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.351 -0.843 . . . . 0.0 109.688 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.3 -41.74 97.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.176 -0.953 . . . . 0.0 108.676 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -60.04 -49.99 75.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.169 -0.957 . . . . 0.0 109.948 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.4 t -59.96 -41.18 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.172 -0.955 . . . . 0.0 109.948 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.02 -42.74 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.24 -0.913 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.424 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 86.5 tttt -61.76 -41.25 97.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.6 -0.687 . . . . 0.0 109.472 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.418 ' HE ' HD11 ' B' ' 103' ' ' LEU . 54.8 mtt-85 -61.42 -39.98 92.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.417 -0.802 . . . . 0.0 109.961 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.97 -39.97 87.47 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.117 -0.989 . . . . 0.0 108.958 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -60.05 -49.7 76.61 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.063 -1.023 . . . . 0.0 109.718 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' A' ' 22' ' ' LYS . 2.7 mp0 -64.37 -41.46 96.71 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.682 -1.261 . . . . 0.0 109.315 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.451 HD23 HD13 ' B' ' 28' ' ' LEU . 31.2 tp -60.47 -40.7 92.17 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.354 -0.841 . . . . 0.0 109.04 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.442 HD13 HD23 ' C' ' 27' ' ' LEU . 19.4 mt -59.91 -40.37 88.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.453 -0.78 . . . . 0.0 109.271 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.22 -39.99 92.31 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.165 -0.959 . . . . 0.0 109.328 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.548 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 85.4 mt -62.46 -40.63 97.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.16 -0.963 . . . . 0.0 109.403 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.9 p -63.85 -39.93 95.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.985 -1.072 . . . . 0.0 109.328 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.26 -40.08 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.38 -0.825 . . . . 0.0 109.474 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -59.99 -47.2 86.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.382 -0.824 . . . . 0.0 110.512 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.49 -50.25 68.72 Favored Glycine 0 N--CA 1.487 2.044 0 C-N-CA 119.37 -1.395 . . . . 0.0 110.042 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.19 -50.02 75.31 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.954 -1.321 . . . . 0.0 109.913 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -61.16 -39.53 90.47 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.234 -0.916 . . . . 0.0 109.141 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.526 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.4 OUTLIER -59.82 -39.68 85.9 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.322 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -59.84 -39.9 86.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.005 -1.059 . . . . 0.0 108.816 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.01 -40.02 87.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.955 -1.091 . . . . 0.0 109.284 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.7 p -59.93 -40.1 87.76 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.715 -1.241 . . . . 0.0 108.828 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.7 HH22 ' ND2' ' B' ' 82' ' ' ASN . 23.3 mtt-85 -62.6 -40.18 96.13 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.581 179.245 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.5 t -60.03 -41.82 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.608 -0.683 . . . . 0.0 109.273 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.6 p -59.98 -40.12 88.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.019 -1.05 . . . . 0.0 109.665 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.69 -40.04 84.4 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.35 -1.469 . . . . 0.0 108.559 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.52 -39.99 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.709 -0.619 . . . . 0.0 110.284 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -39.82 87.02 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 -179.071 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.14 -48.62 80.97 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.595 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 51.6 m-85 -61.43 -39.94 92.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.393 -0.817 . . . . 0.0 109.957 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.5 ' C ' HD22 ' A' ' 74' ' ' ASN . 53.9 mt -60.03 -39.27 85.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.934 -1.104 . . . . 0.0 108.734 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.09 -39.88 87.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.075 -1.016 . . . . 0.0 108.551 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.96 -39.89 87.18 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.07 -1.019 . . . . 0.0 109.32 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.511 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.9 OUTLIER -59.98 -39.58 86.2 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.952 -1.093 . . . . 0.0 109.182 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.27 -37.49 77.77 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.982 -1.074 . . . . 0.0 108.733 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -59.98 -39.61 86.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.225 -0.922 . . . . 0.0 108.647 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 61.2 mt -73.57 112.56 9.77 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.012 -1.055 . . . . 0.0 109.079 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -134.0 -69.57 0.53 Allowed 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.465 -0.772 . . . . 0.0 109.428 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.61 88.04 1.47 Allowed 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.442 ' C ' ' H ' ' A' ' 60' ' ' ALA . 56.4 m95 -104.38 149.98 24.91 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.489 -0.757 . . . . 0.0 111.047 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 53.85 8.53 0.99 Allowed Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.482 ' HA ' ' HB1' ' B' ' 60' ' ' ALA . . . -72.73 22.94 0.06 Allowed 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.14 -1.212 . . . . 0.0 109.071 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.46 108.01 2.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.042 -1.036 . . . . 0.0 109.672 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -102.34 12.49 36.53 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.265 -0.897 . . . . 0.0 110.11 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.681 ' NE ' HH21 ' C' ' 63' ' ' ARG . 30.1 mmt180 -120.24 23.73 10.79 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 177.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -149.43 152.17 35.25 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.9 t -107.68 61.12 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.075 -1.016 . . . . 0.0 109.172 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.28 157.67 42.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.478 -0.764 . . . . 0.0 109.383 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -128.09 132.98 48.98 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 68' ' ' THR . 4.6 t -98.42 119.39 37.03 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.245 -0.909 . . . . 0.0 110.451 -178.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.9 121.24 43.34 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.3 t -126.84 83.28 65.91 Favored Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 121.427 -0.796 . . . . 0.0 109.35 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -79.84 65.73 8.86 Favored 'Trans proline' 0 N--CA 1.489 1.216 0 C-N-CA 122.301 2.001 . . . . 0.0 111.555 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.449 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 27.4 t90 -67.74 133.94 92.38 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -38.23 149.14 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.553 1.502 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.568 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 33.9 t-20 -127.61 -60.48 1.17 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.241 -0.912 . . . . 0.0 109.424 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.05 124.99 34.82 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.064 -1.023 . . . . 0.0 108.345 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.4 t -81.1 105.51 12.37 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.765 -1.209 . . . . 0.0 107.949 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.5 mt -82.18 136.57 35.1 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.477 0.656 . . . . 0.0 109.91 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 78' ' ' THR . 10.1 t -90.02 113.86 58.72 Favored Pre-proline 0 C--N 1.301 -1.512 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -90.27 -49.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 121.544 1.496 . . . . 0.0 114.487 -178.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -121.37 -44.7 2.36 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.235 -0.915 . . . . 0.0 113.206 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.685 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.8 p90 -59.99 -53.67 55.09 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.449 -1.407 . . . . 0.0 112.407 -176.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.685 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.2 OUTLIER -79.06 -39.98 32.44 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.128 -1.608 . . . . 0.0 109.914 -179.362 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.08 -47.32 86.39 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.253 -0.904 . . . . 0.0 109.108 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.21 -43.71 95.73 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.17 -0.956 . . . . 0.0 109.148 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 81' ' ' TRP . 74.6 p -69.35 -40.02 77.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.182 -0.949 . . . . 0.0 109.645 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -61.91 -40.63 96.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.015 -1.053 . . . . 0.0 109.489 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.03 -41.11 91.51 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.917 -1.114 . . . . 0.0 108.039 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.79 -40.01 95.63 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.52 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 65.4 t90 -59.94 -50.02 75.41 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.198 -0.938 . . . . 0.0 109.3 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.49 -41.41 97.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.031 -1.043 . . . . 0.0 109.269 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -61.78 -42.02 98.46 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.407 -0.808 . . . . 0.0 110.337 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.02 -42.99 95.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.771 -1.206 . . . . 0.0 108.814 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.4 -40.66 88.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.343 -0.848 . . . . 0.0 109.19 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -60.0 -46.48 89.33 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.251 -0.906 . . . . 0.0 110.479 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -66.45 -40.02 89.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.806 -1.184 . . . . 0.0 109.681 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.32 -42.14 79.8 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.141 -0.974 . . . . 0.0 108.976 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.79 -45.47 94.27 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.272 -0.893 . . . . 0.0 109.369 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -64.36 -40.42 95.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.249 -0.907 . . . . 0.0 109.683 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.37 -41.19 96.83 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.1 -1.0 . . . . 0.0 109.444 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.45 -44.45 98.85 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.288 -0.882 . . . . 0.0 109.798 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.8 p -62.97 -40.16 96.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.148 -0.97 . . . . 0.0 109.464 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.7 80.61 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.205 -0.934 . . . . 0.0 109.787 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.51 -41.05 98.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.111 -0.993 . . . . 0.0 109.729 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.9 -43.43 98.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.179 -0.951 . . . . 0.0 109.448 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.25 -46.99 87.87 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.215 -0.928 . . . . 0.0 108.624 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -65.56 -39.94 92.27 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.382 -0.824 . . . . 0.0 108.915 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.57 93.99 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.324 -0.86 . . . . 0.0 109.53 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -62.29 -41.53 98.58 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.017 -1.052 . . . . 0.0 109.472 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -70.02 -40.35 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.067 -1.02 . . . . 0.0 109.283 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.566 ' NE2' ' OE1' ' C' ' 13' ' ' GLN . 31.7 tt0 -70.0 -39.99 75.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.911 . . . . 0.0 109.599 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.08 -49.28 78.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.147 -0.971 . . . . 0.0 109.076 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.23 -43.1 96.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.156 -0.965 . . . . 0.0 109.381 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -60.13 -42.01 93.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.167 -0.958 . . . . 0.0 109.441 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -64.25 -40.02 95.15 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.052 -1.03 . . . . 0.0 109.029 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.0 ttt -68.47 -40.0 81.17 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.239 -0.913 . . . . 0.0 108.833 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -60.01 -44.42 94.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.512 -0.742 . . . . 0.0 109.751 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.56 -40.23 93.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.123 -0.986 . . . . 0.0 109.127 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.51 -43.3 97.2 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.542 -0.724 . . . . 0.0 109.565 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.3 mt-30 -60.19 -40.13 88.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -0.918 . . . . 0.0 109.731 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -60.91 -40.03 91.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.31 -0.869 . . . . 0.0 109.411 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.9 mt -59.97 -48.34 82.1 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -119.41 56.81 0.92 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 117.923 -1.037 . . . . 0.0 108.889 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -69.64 144.61 52.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.513 -0.742 . . . . 0.0 109.402 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.9 p -89.49 59.42 4.77 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.288 -0.883 . . . . 0.0 109.227 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -63.47 -39.99 95.93 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.444 -0.785 . . . . 0.0 109.206 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.523 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.9 t -60.0 -43.81 94.97 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.332 -0.855 . . . . 0.0 109.549 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.523 ' N ' HG23 ' B' ' 5' ' ' THR . 62.2 tp -62.51 -42.56 99.59 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.117 -0.989 . . . . 0.0 108.595 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 31.1 mt -60.59 -40.04 90.31 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.433 -0.792 . . . . 0.0 110.305 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.95 87.34 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.039 -1.038 . . . . 0.0 108.493 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.0 -45.32 57.47 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.039 -1.625 . . . . 0.0 109.039 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.02 -49.52 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.361 -1.082 . . . . 0.0 110.014 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 60.1 t -59.92 -42.7 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.96 -1.087 . . . . 0.0 108.541 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -61.14 -39.94 91.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.37 -0.831 . . . . 0.0 109.826 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.577 ' OE1' ' NE2' ' C' ' 110' ' ' GLN . 34.7 tp60 -60.05 -42.0 93.51 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 109.347 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -61.85 -40.71 96.27 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.098 -1.001 . . . . 0.0 109.124 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.1 -43.99 95.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.38 -0.825 . . . . 0.0 109.083 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.8 -42.49 97.72 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.223 -0.923 . . . . 0.0 108.941 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.9 mt -64.56 -40.25 95.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.297 -0.877 . . . . 0.0 109.782 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.9 -41.11 97.52 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.089 -1.007 . . . . 0.0 108.723 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.4 -50.07 75.06 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.22 -0.925 . . . . 0.0 109.909 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.91 -41.07 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.222 -0.924 . . . . 0.0 109.872 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.0 -43.48 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.152 -0.968 . . . . 0.0 109.211 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LYS . . . . . 0.43 ' O ' ' OE1' ' B' ' 26' ' ' GLU . 86.5 tttt -60.76 -41.31 95.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.577 -0.702 . . . . 0.0 109.701 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' B' ' 23' ' ' ARG . 55.3 mtt-85 -61.6 -39.93 93.0 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.408 -0.808 . . . . 0.0 109.983 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.05 -39.91 87.6 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.207 -0.933 . . . . 0.0 108.991 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -60.0 -50.02 75.38 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.17 -0.956 . . . . 0.0 109.577 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' B' ' 22' ' ' LYS . 2.6 mp0 -63.97 -41.83 97.42 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.764 -1.21 . . . . 0.0 109.342 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.468 HD23 HD13 ' C' ' 28' ' ' LEU . 31.9 tp -60.25 -40.46 90.37 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.353 -0.842 . . . . 0.0 109.106 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.451 HD13 HD23 ' A' ' 27' ' ' LEU . 19.4 mt -60.01 -40.53 89.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.374 -0.829 . . . . 0.0 109.4 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.91 -39.99 91.47 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.149 -0.969 . . . . 0.0 109.516 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.487 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 85.1 mt -62.4 -40.8 97.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.071 -1.018 . . . . 0.0 109.458 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 74.1 p -63.97 -39.96 95.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.952 -1.092 . . . . 0.0 109.317 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.09 -40.11 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -0.833 . . . . 0.0 109.459 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -59.93 -47.47 85.67 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.327 -0.858 . . . . 0.0 110.516 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.52 -49.98 71.49 Favored Glycine 0 N--CA 1.487 2.06 0 C-N-CA 119.364 -1.398 . . . . 0.0 110.036 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.23 -50.32 74.11 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.912 -1.346 . . . . 0.0 109.859 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -60.8 -39.53 89.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.317 -0.864 . . . . 0.0 109.234 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.529 ' C ' HD21 ' B' ' 37' ' ' ASN . 0.4 OUTLIER -60.0 -39.41 85.7 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -179.292 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.96 -39.93 87.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.041 -1.037 . . . . 0.0 109.023 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.96 -39.93 87.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.129 -0.982 . . . . 0.0 109.287 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 30.9 p -60.03 -40.13 88.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.776 -1.202 . . . . 0.0 108.811 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.654 HH22 ' ND2' ' C' ' 82' ' ' ASN . 23.5 mtt-85 -62.53 -40.03 95.48 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.426 -0.91 . . . . 0.0 108.625 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 65.0 t -60.22 -41.79 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 74.4 p -60.06 -40.04 88.06 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.035 -1.041 . . . . 0.0 109.56 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.87 -39.95 83.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.401 -1.437 . . . . 0.0 108.525 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.63 -39.96 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.708 -0.62 . . . . 0.0 110.266 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -39.77 86.83 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.858 -1.152 . . . . 0.0 108.256 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.01 -48.49 81.47 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.255 -0.903 . . . . 0.0 108.791 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.582 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 52.3 m-85 -61.55 -39.96 92.99 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.314 -0.866 . . . . 0.0 109.845 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.491 ' C ' HD22 ' B' ' 74' ' ' ASN . 52.9 mt -60.05 -39.28 85.42 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.012 -1.055 . . . . 0.0 108.862 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.04 -39.9 87.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.082 -1.011 . . . . 0.0 108.627 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.1 -39.82 87.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.056 -1.027 . . . . 0.0 109.232 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.501 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.9 OUTLIER -60.01 -39.69 86.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.97 -1.081 . . . . 0.0 109.139 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -59.24 -37.5 77.7 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.928 -1.107 . . . . 0.0 108.695 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -59.96 -39.78 86.77 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.198 -0.939 . . . . 0.0 108.617 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 60.9 mt -73.31 112.63 9.56 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.021 -1.049 . . . . 0.0 109.174 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -134.08 -69.64 0.53 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.369 -0.832 . . . . 0.0 109.314 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.71 88.3 1.47 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' TRP . . . . . 0.448 ' C ' ' H ' ' B' ' 60' ' ' ALA . 56.2 m95 -104.56 150.06 24.96 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.503 -0.748 . . . . 0.0 110.945 -178.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 53.72 8.46 0.92 Allowed Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.488 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -72.37 23.16 0.05 Allowed 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.188 -1.183 . . . . 0.0 109.216 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.508 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.85 107.89 2.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.183 -0.948 . . . . 0.0 109.709 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -102.19 12.55 36.55 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.188 -0.945 . . . . 0.0 110.055 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.697 HH21 ' NE ' ' C' ' 63' ' ' ARG . 30.2 mmt180 -120.3 23.63 10.81 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -149.38 152.18 35.33 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.6 t -107.57 60.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.13 -0.981 . . . . 0.0 109.106 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.24 157.55 42.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.301 -0.874 . . . . 0.0 109.423 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -127.8 133.03 49.43 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.412 HG23 ' O ' ' B' ' 68' ' ' THR . 4.7 t -98.4 119.43 37.08 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.203 -0.935 . . . . 0.0 110.426 -178.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.09 121.18 43.02 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 67.7 t -126.88 83.09 66.48 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.492 -0.755 . . . . 0.0 109.367 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.73 65.59 8.87 Favored 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.438 2.092 . . . . 0.0 111.627 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.443 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 28.2 t90 -67.59 133.7 92.69 Favored Pre-proline 0 C--N 1.301 -1.507 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.42 ' C ' ' O ' ' B' ' 72' ' ' TRP . 71.3 Cg_exo -38.11 149.08 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.604 1.536 . . . . 0.0 111.124 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.595 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 33.6 t30 -127.5 -60.72 1.17 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.244 -0.91 . . . . 0.0 109.386 -178.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.9 125.23 34.85 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.025 -1.047 . . . . 0.0 108.297 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 9.8 t -81.21 105.6 12.53 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 118.665 -1.214 . . . . 0.0 107.931 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 58.7 mt -82.5 136.52 34.86 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.525 0.678 . . . . 0.0 109.854 -178.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.657 HG23 ' O ' ' B' ' 78' ' ' THR . 10.2 t -89.78 113.76 58.12 Favored Pre-proline 0 C--N 1.302 -1.496 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -90.28 -49.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.529 1.486 . . . . 0.0 114.626 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -121.4 -44.81 2.35 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.122 -0.986 . . . . 0.0 113.17 -177.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.678 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.7 p90 -59.94 -53.75 54.14 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.479 -1.388 . . . . 0.0 112.454 -176.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.7 ' ND2' HH22 ' A' ' 41' ' ' ARG . 0.2 OUTLIER -79.03 -39.84 32.95 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 119.99 -1.693 . . . . 0.0 109.899 -179.433 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.0 -47.21 86.78 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.245 -0.909 . . . . 0.0 109.335 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.36 -43.7 96.27 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.105 -0.997 . . . . 0.0 109.114 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.481 HG23 ' O ' ' B' ' 81' ' ' TRP . 76.1 p -69.4 -40.0 77.6 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.217 -0.927 . . . . 0.0 109.628 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -62.02 -40.63 96.35 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.918 -1.114 . . . . 0.0 109.362 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.1 -40.98 91.53 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 118.894 -1.122 . . . . 0.0 108.19 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -63.76 -40.02 95.68 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.548 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 65.7 t90 -59.95 -50.04 75.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.172 -0.955 . . . . 0.0 109.196 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.75 -41.32 97.52 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.092 -1.005 . . . . 0.0 109.138 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -61.58 -42.27 98.61 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.411 -0.805 . . . . 0.0 110.281 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.96 -42.7 94.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.772 -1.205 . . . . 0.0 108.861 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.77 -40.5 88.86 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 121.301 -0.874 . . . . 0.0 109.206 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -59.96 -46.66 88.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.252 -0.905 . . . . 0.0 110.412 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -66.2 -40.26 90.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.908 -1.12 . . . . 0.0 109.587 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.96 -42.33 81.07 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.087 -1.008 . . . . 0.0 108.974 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.72 -45.91 92.43 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.219 -0.925 . . . . 0.0 109.3 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.85 -40.76 97.33 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.168 -0.957 . . . . 0.0 109.744 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.17 -41.12 97.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.084 -1.01 . . . . 0.0 109.466 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.49 -44.58 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.239 -0.913 . . . . 0.0 109.734 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 29.6 p -62.8 -40.49 97.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.043 -1.035 . . . . 0.0 109.462 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.95 -48.62 80.94 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.128 -0.983 . . . . 0.0 109.889 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 103' ' ' LEU . . . . . 0.418 HD11 ' HE ' ' A' ' 23' ' ' ARG . 96.1 mt -63.54 -41.14 98.47 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.019 -1.051 . . . . 0.0 109.649 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.85 -43.92 97.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.079 -1.013 . . . . 0.0 109.284 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.97 -46.55 89.07 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.009 -1.057 . . . . 0.0 108.75 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.66 -40.0 91.98 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.404 -0.81 . . . . 0.0 109.002 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.42 -44.69 93.85 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.36 -0.838 . . . . 0.0 109.51 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.22 -41.62 98.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.063 -1.023 . . . . 0.0 109.561 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.0 -40.53 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.025 -1.047 . . . . 0.0 109.235 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 110' ' ' GLN . . . . . 0.544 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 31.9 tt0 -69.67 -40.0 76.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.385 -0.822 . . . . 0.0 109.508 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -59.96 -49.76 76.42 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.129 -0.982 . . . . 0.0 109.085 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.91 -43.23 94.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.119 -0.988 . . . . 0.0 109.515 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -60.06 -41.59 92.71 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.248 -0.908 . . . . 0.0 109.528 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.7 -40.0 94.62 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.203 -0.936 . . . . 0.0 108.884 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 26.9 ttt -68.43 -39.97 81.35 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.32 -0.862 . . . . 0.0 108.768 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -60.06 -44.31 94.79 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.366 -0.834 . . . . 0.0 109.848 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.67 -40.22 94.2 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.074 -1.016 . . . . 0.0 109.074 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.54 -43.1 97.58 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.361 -0.837 . . . . 0.0 109.467 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.4 mt-30 -60.51 -40.07 90.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.236 -0.915 . . . . 0.0 109.723 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -60.65 -40.04 90.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.284 -0.885 . . . . 0.0 109.333 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.94 -48.49 81.5 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -119.41 56.91 0.91 Allowed 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.502 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.778 0 O-C-N 121.034 -1.041 . . . . 0.0 108.787 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -69.77 144.62 52.64 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.35 -0.844 . . . . 0.0 109.397 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 51.3 p -89.48 59.52 4.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.332 -0.855 . . . . 0.0 109.343 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -63.64 -39.99 95.75 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.418 -0.801 . . . . 0.0 109.113 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.512 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.9 t -60.03 -43.47 95.28 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.379 -0.825 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.512 ' N ' HG23 ' C' ' 5' ' ' THR . 61.6 tp -62.88 -41.99 99.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.064 -1.022 . . . . 0.0 108.676 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.6 mt -61.09 -39.96 91.9 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.481 -0.762 . . . . 0.0 110.163 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.1 87.79 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.96 -1.088 . . . . 0.0 108.622 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.58 -45.61 58.57 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.06 -49.39 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.36 -1.082 . . . . 0.0 109.952 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.0 -42.74 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.837 -1.164 . . . . 0.0 108.58 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -61.16 -39.9 91.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.482 -0.761 . . . . 0.0 109.908 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 13' ' ' GLN . . . . . 0.566 ' OE1' ' NE2' ' A' ' 110' ' ' GLN . 34.6 tp60 -60.0 -42.0 93.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.341 -0.849 . . . . 0.0 109.397 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -61.77 -40.89 96.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.099 -1.001 . . . . 0.0 109.193 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.09 -43.61 95.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.405 -0.809 . . . . 0.0 109.141 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.92 -42.33 97.89 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.189 -0.944 . . . . 0.0 109.043 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.84 -40.25 94.86 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.296 -0.878 . . . . 0.0 109.654 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.8 -41.7 98.08 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.908 -1.12 . . . . 0.0 108.61 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.05 -50.03 75.31 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.282 -0.886 . . . . 0.0 109.974 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 69.7 t -59.99 -41.03 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.187 -0.946 . . . . 0.0 109.785 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -43.61 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.296 -0.878 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 22' ' ' LYS . . . . . 0.428 ' O ' ' OE1' ' C' ' 26' ' ' GLU . 86.6 tttt -60.61 -41.81 95.54 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.533 -0.729 . . . . 0.0 109.608 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.413 ' HG2' HH11 ' C' ' 23' ' ' ARG . 55.5 mtt-85 -61.06 -40.03 92.12 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.324 -0.86 . . . . 0.0 109.921 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.95 -40.07 87.72 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.185 -0.947 . . . . 0.0 108.967 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -59.94 -50.06 75.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.121 -0.987 . . . . 0.0 109.713 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 26' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' C' ' 22' ' ' LYS . 2.8 mp0 -63.91 -41.5 97.66 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.744 -1.222 . . . . 0.0 109.439 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 27' ' ' LEU . . . . . 0.442 HD23 HD13 ' A' ' 28' ' ' LEU . 31.0 tp -60.67 -40.14 91.01 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.365 -0.835 . . . . 0.0 109.048 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 28' ' ' LEU . . . . . 0.468 HD13 HD23 ' B' ' 27' ' ' LEU . 19.3 mt -60.25 -40.61 90.9 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.392 -0.818 . . . . 0.0 109.326 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.93 -39.94 91.35 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.28 -0.887 . . . . 0.0 109.431 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.52 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 84.9 mt -62.66 -40.45 97.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.269 -0.894 . . . . 0.0 109.507 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.0 p -64.01 -39.98 95.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.104 -0.997 . . . . 0.0 109.213 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.11 -40.1 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.334 -0.854 . . . . 0.0 109.414 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -59.99 -47.5 85.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.381 -0.824 . . . . 0.0 110.514 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.22 -50.38 66.92 Favored Glycine 0 N--CA 1.486 2.029 0 C-N-CA 119.369 -1.396 . . . . 0.0 110.082 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.17 -50.0 75.41 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.074 -1.25 . . . . 0.0 109.917 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -61.08 -39.61 90.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.365 -0.835 . . . . 0.0 109.061 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.507 ' C ' HD21 ' C' ' 37' ' ' ASN . 0.4 OUTLIER -59.9 -39.69 86.23 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.317 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -59.89 -39.82 86.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.095 -1.003 . . . . 0.0 108.936 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -60.03 -39.95 87.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.0 109.159 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 31.0 p -59.94 -40.3 88.49 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.808 -1.182 . . . . 0.0 108.99 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.67 HH22 ' ND2' ' A' ' 82' ' ' ASN . 23.5 mtt-85 -62.35 -40.01 94.97 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.147 -0.971 . . . . 0.0 108.53 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 64.0 t -60.23 -41.59 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.654 -0.654 . . . . 0.0 109.337 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 72.2 p -60.24 -39.91 88.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.068 -1.02 . . . . 0.0 109.654 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.95 -40.02 83.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.468 -1.395 . . . . 0.0 108.338 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.53 -39.95 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.684 -0.635 . . . . 0.0 110.332 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -39.78 87.18 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.964 -1.085 . . . . 0.0 108.217 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.96 -48.41 81.83 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.195 -0.94 . . . . 0.0 108.775 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.568 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 51.6 m-85 -61.71 -39.98 93.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.36 -0.837 . . . . 0.0 109.838 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 49' ' ' LEU . . . . . 0.5 ' C ' HD22 ' C' ' 74' ' ' ASN . 53.4 mt -60.01 -39.21 85.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.955 -1.09 . . . . 0.0 108.809 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.04 -39.96 87.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.102 -0.998 . . . . 0.0 108.522 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.05 -39.89 87.57 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.163 -0.96 . . . . 0.0 109.206 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.503 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.9 OUTLIER -60.03 -39.5 86.11 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.012 -1.055 . . . . 0.0 109.13 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 53' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -59.32 -37.4 77.69 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.833 -1.167 . . . . 0.0 108.736 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -59.98 -39.62 86.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.303 -0.873 . . . . 0.0 108.76 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 62.3 mt -73.51 112.68 9.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.032 -1.043 . . . . 0.0 108.989 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -134.18 -69.74 0.52 Allowed 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.259 -0.901 . . . . 0.0 109.18 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.58 88.14 1.47 Allowed 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 58' ' ' TRP . . . . . 0.44 ' C ' ' N ' ' C' ' 60' ' ' ALA . 57.4 m95 -104.24 149.82 24.96 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.472 -0.768 . . . . 0.0 111.019 -178.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 59' ' ' GLY . . . . . 0.516 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 53.98 8.46 1.03 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 178.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 60' ' ' ALA . . . . . 0.488 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -72.61 22.64 0.06 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.263 -1.14 . . . . 0.0 109.15 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 61' ' ' ALA . . . . . 0.516 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.19 108.15 2.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.094 -1.004 . . . . 0.0 109.71 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -102.35 12.54 36.44 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.271 -0.893 . . . . 0.0 110.232 179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 63' ' ' ARG . . . . . 0.697 ' NE ' HH21 ' B' ' 63' ' ' ARG . 30.3 mmt180 -120.29 23.65 10.81 Favored 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 177.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -149.38 152.18 35.34 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 t -107.51 61.03 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.104 -0.997 . . . . 0.0 109.152 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.15 157.75 43.1 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.411 -0.805 . . . . 0.0 109.402 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -128.05 133.03 49.04 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.414 HG23 ' O ' ' C' ' 68' ' ' THR . 4.6 t -98.43 119.45 37.15 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.237 -0.914 . . . . 0.0 110.355 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.13 121.06 42.62 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 67.7 t -126.81 83.05 66.36 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.378 -0.826 . . . . 0.0 109.384 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.61 65.59 8.86 Favored 'Trans proline' 0 N--CA 1.489 1.262 0 C-N-CA 122.43 2.087 . . . . 0.0 111.655 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.444 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 27.3 t90 -67.59 133.8 92.69 Favored Pre-proline 0 C--N 1.301 -1.541 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.429 ' C ' ' O ' ' C' ' 72' ' ' TRP . 70.7 Cg_exo -38.15 149.27 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 121.462 1.441 . . . . 0.0 111.116 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.582 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 34.1 t30 -127.51 -60.83 1.16 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.274 -0.891 . . . . 0.0 109.476 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.89 125.29 34.87 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.0 t -81.39 105.58 12.68 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.016 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 58.5 mt -82.22 136.48 35.08 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.599 0.714 . . . . 0.0 109.864 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.655 HG23 ' O ' ' C' ' 78' ' ' THR . 10.2 t -89.98 114.11 59.61 Favored Pre-proline 0 C--N 1.301 -1.506 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.36 -49.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.106 0 C-N-CA 121.781 1.654 . . . . 0.0 114.642 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -121.66 -44.65 2.33 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.353 -0.842 . . . . 0.0 113.158 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.685 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.7 p90 -59.91 -54.14 49.6 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.472 -1.392 . . . . 0.0 112.347 -176.123 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.685 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.2 OUTLIER -78.8 -39.94 34.36 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.022 -1.674 . . . . 0.0 109.939 -179.326 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.04 -47.21 86.78 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.235 -0.916 . . . . 0.0 109.234 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.5 -43.61 96.85 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.032 -1.043 . . . . 0.0 109.078 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.477 HG23 ' O ' ' C' ' 81' ' ' TRP . 77.0 p -69.3 -40.07 77.9 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.148 -0.97 . . . . 0.0 109.59 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -61.99 -40.89 97.18 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.051 -1.031 . . . . 0.0 109.474 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.0 -40.94 90.91 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -63.64 -39.99 95.74 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.487 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 65.9 t90 -60.04 -50.01 75.41 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 0.0 109.288 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.71 -41.19 97.28 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.916 -1.115 . . . . 0.0 109.364 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -61.84 -41.94 98.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.581 -0.699 . . . . 0.0 110.283 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.06 -43.17 95.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.717 -1.239 . . . . 0.0 108.768 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.28 -40.51 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.389 -0.819 . . . . 0.0 109.27 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -60.02 -46.94 87.85 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.21 -0.931 . . . . 0.0 110.363 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -66.05 -40.18 90.74 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.852 -1.155 . . . . 0.0 109.674 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 92.0 mt -68.18 -42.24 80.27 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.349 -0.94 . . . . 0.0 108.906 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.79 -45.79 93.01 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.231 -0.918 . . . . 0.0 109.399 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.0 -40.67 96.88 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.225 -0.922 . . . . 0.0 109.702 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.94 -41.45 97.6 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.174 -0.953 . . . . 0.0 109.465 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.39 -44.38 98.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 121.323 -0.861 . . . . 0.0 109.804 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 27.2 p -63.11 -40.25 97.07 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.003 -1.06 . . . . 0.0 109.413 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.89 79.84 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.244 -0.91 . . . . 0.0 109.752 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.31 -41.23 98.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.051 -1.03 . . . . 0.0 109.693 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.82 -43.91 97.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.082 -1.011 . . . . 0.0 109.372 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.98 -46.82 88.21 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.04 -1.038 . . . . 0.0 108.676 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.59 -39.96 92.18 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.317 -0.865 . . . . 0.0 109.03 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.77 94.28 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.258 -0.901 . . . . 0.0 109.559 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.12 -41.62 98.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.996 -1.065 . . . . 0.0 109.624 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.02 -40.32 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.259 -0.901 . . . . 0.0 109.367 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 110' ' ' GLN . . . . . 0.577 ' NE2' ' OE1' ' B' ' 13' ' ' GLN . 31.8 tt0 -69.9 -39.98 75.9 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.364 -0.835 . . . . 0.0 109.558 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -60.14 -49.38 77.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -0.914 . . . . 0.0 109.066 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.18 -43.39 95.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.128 -0.983 . . . . 0.0 109.321 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -59.96 -41.69 92.46 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.228 -0.92 . . . . 0.0 109.474 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.51 -40.12 95.05 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.034 -1.041 . . . . 0.0 108.91 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.0 ttt -68.45 -39.97 81.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.301 -0.875 . . . . 0.0 108.737 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -59.98 -44.58 94.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.342 -0.849 . . . . 0.0 109.711 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.32 -40.2 93.35 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.087 -1.008 . . . . 0.0 109.17 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.67 -42.91 98.03 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.333 -0.855 . . . . 0.0 109.618 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.4 mt-30 -60.55 -40.69 92.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.873 . . . . 0.0 109.54 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -60.02 -40.02 87.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.25 -0.906 . . . . 0.0 109.695 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.98 -48.4 81.86 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -119.53 57.03 0.92 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.51 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 O-C-N 121.031 -1.043 . . . . 0.0 108.888 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.192 0.52 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 96.5 mt-30 -73.77 144.44 45.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.151 -0.968 . . . . 0.0 109.312 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -90.03 59.41 4.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.175 -0.953 . . . . 0.0 109.518 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -64.83 -39.91 94.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.331 -0.856 . . . . 0.0 109.31 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.503 HG23 ' N ' ' A' ' 6' ' ' LEU . 9.4 t -60.06 -41.21 91.87 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.257 -0.902 . . . . 0.0 109.288 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.503 ' N ' HG23 ' A' ' 5' ' ' THR . 60.5 tp -60.85 -42.68 98.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.194 -0.941 . . . . 0.0 108.598 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.12 -40.01 88.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.324 -0.86 . . . . 0.0 109.336 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.85 90.43 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.224 -0.922 . . . . 0.0 108.525 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.0 -48.59 69.32 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 108.781 -1.728 . . . . 0.0 108.781 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -48.74 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.446 -1.032 . . . . 0.0 109.879 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.98 -46.44 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.169 -0.957 . . . . 0.0 109.285 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.29 -39.89 88.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.139 -0.976 . . . . 0.0 109.532 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -60.02 -41.77 92.92 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.102 -0.999 . . . . 0.0 109.389 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -60.44 -40.09 89.84 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.936 -1.102 . . . . 0.0 109.153 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -60.0 -46.3 89.93 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.243 -0.911 . . . . 0.0 109.248 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -60.1 -44.24 94.99 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.095 -1.003 . . . . 0.0 109.427 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.55 -41.86 97.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.215 -0.928 . . . . 0.0 109.603 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.98 -46.0 90.88 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.302 -0.873 . . . . 0.0 109.126 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.93 -48.79 80.25 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.269 -0.895 . . . . 0.0 109.739 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 68.7 t -59.99 -41.71 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.081 -1.012 . . . . 0.0 109.087 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.99 -49.83 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.164 -0.96 . . . . 0.0 108.713 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.62 -40.38 94.61 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.259 -0.9 . . . . 0.0 108.782 178.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.548 ' NE ' ' OD1' ' B' ' 99' ' ' ASN . 34.4 ttm-85 -60.04 -40.0 87.84 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -59.94 -39.12 84.46 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.22 -0.925 . . . . 0.0 108.695 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.02 -47.38 86.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.088 -1.008 . . . . 0.0 109.182 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -62.02 -41.3 97.94 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.595 -1.315 . . . . 0.0 109.311 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.27 -41.03 92.43 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.158 -0.964 . . . . 0.0 109.192 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.96 -39.94 87.33 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.519 -0.738 . . . . 0.0 109.208 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.465 ' HG2' HH11 ' A' ' 29' ' ' ARG . 39.2 mtt-85 -60.1 -40.03 88.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.022 -1.049 . . . . 0.0 108.909 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.454 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 91.8 mt -60.72 -41.85 96.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.047 -1.033 . . . . 0.0 109.523 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.0 p -62.82 -39.92 95.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.919 -1.113 . . . . 0.0 109.268 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.23 -40.06 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -60.04 -42.85 95.33 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.37 -0.831 . . . . 0.0 110.47 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -47.58 90.34 Favored Glycine 0 N--CA 1.487 2.04 0 C-N-CA 119.545 -1.312 . . . . 0.0 109.845 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.3 m -60.07 -50.0 75.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.108 -1.231 . . . . 0.0 109.885 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -60.54 -40.0 89.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.05 -1.031 . . . . 0.0 110.103 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.556 HD22 ' NH2' ' A' ' 41' ' ' ARG . 7.0 t-20 -60.01 -40.21 88.47 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.106 -0.996 . . . . 0.0 109.577 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.421 ' O ' HG23 ' A' ' 42' ' ' VAL . 88.0 mt -61.29 -40.14 93.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.877 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.99 -41.87 92.99 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.061 -1.024 . . . . 0.0 109.551 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.2 p -60.61 -40.09 90.56 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.062 -1.024 . . . . 0.0 108.92 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.556 ' NH2' HD22 ' A' ' 37' ' ' ASN . 26.5 mtt-85 -69.12 -40.01 78.57 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 38' ' ' LEU . 53.0 t -59.96 -41.0 84.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.414 -0.804 . . . . 0.0 109.042 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.1 p -59.95 -40.05 87.66 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.053 -1.029 . . . . 0.0 109.396 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.29 -43.1 96.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.114 -0.991 . . . . 0.0 108.79 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.89 -37.86 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.555 -0.716 . . . . 0.0 109.422 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.87 -40.16 87.7 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.08 -1.013 . . . . 0.0 108.461 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.67 -46.32 90.78 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.445 -0.784 . . . . 0.0 109.164 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 38.1 m-85 -59.97 -40.04 87.69 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.493 -0.754 . . . . 0.0 110.065 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.04 -39.81 87.21 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.99 -1.069 . . . . 0.0 108.999 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -59.91 -39.9 87.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.982 -1.074 . . . . 0.0 108.688 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.0 -38.63 83.19 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.446 ' OE1' ' ND2' ' B' ' 74' ' ' ASN . 1.3 mp0 -59.9 -40.01 87.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 108.912 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.02 78.65 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.861 -1.149 . . . . 0.0 108.353 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.451 -0.78 . . . . 0.0 109.578 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.0 mt -70.66 117.52 12.29 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.122 -0.986 . . . . 0.0 108.767 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.563 ' CG ' ' H ' ' A' ' 70' ' ' VAL . 24.7 m120 -133.13 -60.61 0.85 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.311 -0.868 . . . . 0.0 110.768 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.69 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -153.52 116.14 4.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.105 -0.997 . . . . 0.0 110.382 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.686 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 92.1 m95 -101.62 124.35 47.12 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.523 -0.736 . . . . 0.0 110.351 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.437 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.16 24.22 73.29 Favored Glycine 0 N--CA 1.492 2.414 0 C-N-CA 120.072 -1.061 . . . . 0.0 110.949 178.498 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.497 ' HA ' ' HB1' ' B' ' 60' ' ' ALA . . . -76.36 22.7 0.16 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.715 -1.462 . . . . 0.0 109.447 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.57 112.0 1.89 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.178 -0.952 . . . . 0.0 109.75 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -108.64 12.95 25.52 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.343 -0.848 . . . . 0.0 109.932 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 69.3 mtm180 -135.74 24.35 3.38 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.221 -0.925 . . . . 0.0 108.631 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.8 mp0 -148.26 151.88 36.19 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -102.85 59.06 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.124 -0.985 . . . . 0.0 108.413 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.54 157.37 42.93 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.423 -0.798 . . . . 0.0 109.528 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -129.47 134.0 47.58 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.522 ' O ' HG23 ' A' ' 68' ' ' THR . 6.1 t -88.69 115.01 25.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.723 -1.236 . . . . 0.0 109.37 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 69' ' ' THR . 8.8 t -110.9 120.61 42.95 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.563 ' H ' ' CG ' ' A' ' 56' ' ' ASN . 89.4 t -122.93 83.35 50.25 Favored Pre-proline 0 N--CA 1.495 1.779 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -86.39 61.71 4.71 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.786 2.324 . . . . 0.0 111.642 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' A' ' 73' ' ' PRO . 27.3 t90 -70.05 130.76 89.48 Favored Pre-proline 0 N--CA 1.488 1.464 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' TRP . 91.4 Cg_exo -40.61 148.5 0.19 Allowed 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 121.32 1.347 . . . . 0.0 110.765 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.526 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 65.6 t30 -131.21 -38.65 1.2 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.205 -0.934 . . . . 0.0 109.225 -178.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.32 124.88 39.58 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.3 t -83.94 105.31 14.72 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.8 mt -83.2 134.75 34.95 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.651 0.738 . . . . 0.0 109.963 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 78' ' ' THR . 6.5 t -94.84 113.03 60.29 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.592 -0.692 . . . . 0.0 109.625 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -89.29 -48.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.219 0 C-N-CA 121.712 1.608 . . . . 0.0 113.584 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -122.29 -44.01 2.28 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.645 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.0 p90 -59.47 -49.88 76.09 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.411 -1.431 . . . . 0.0 112.911 -175.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.645 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 45.4 t30 -71.78 -42.72 66.79 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 119.867 -1.771 . . . . 0.0 109.943 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -60.03 -49.93 75.72 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.204 -0.935 . . . . 0.0 110.547 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.58 -43.12 99.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.81 -1.181 . . . . 0.0 109.936 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 81' ' ' TRP . 76.8 p -69.71 -40.05 76.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 109.277 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -68.0 -38.84 83.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.155 -0.966 . . . . 0.0 108.979 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -60.04 -39.98 87.81 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.237 -0.914 . . . . 0.0 108.694 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.77 -40.05 96.09 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.887 -1.133 . . . . 0.0 109.123 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.464 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 62.4 t90 -60.0 -49.97 75.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.203 -0.936 . . . . 0.0 111.045 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -67.23 -39.83 86.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.505 -1.372 . . . . 0.0 109.201 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.01 -41.19 91.59 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.233 -0.917 . . . . 0.0 110.059 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -60.06 -44.84 94.44 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.703 -1.248 . . . . 0.0 108.322 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.52 -40.1 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.29 -0.881 . . . . 0.0 109.071 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.03 -42.74 95.04 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.419 -0.8 . . . . 0.0 110.394 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -69.7 -40.0 76.57 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.858 -1.151 . . . . 0.0 109.095 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 68.6 mt -67.0 -40.03 87.23 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.186 -0.946 . . . . 0.0 108.877 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.42 ' OE2' ' NH2' ' A' ' 29' ' ' ARG . 88.9 tt0 -59.97 -46.54 89.1 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.343 -0.848 . . . . 0.0 109.49 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.04 -44.49 94.62 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.114 -0.991 . . . . 0.0 109.314 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.542 ' OD1' ' NE ' ' C' ' 23' ' ' ARG . 14.5 t-20 -62.26 -42.28 99.19 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.196 -0.94 . . . . 0.0 109.62 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.08 -46.68 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.026 -1.046 . . . . 0.0 109.034 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.8 p -61.36 -39.96 92.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.165 -0.959 . . . . 0.0 109.621 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.02 -46.57 89.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.156 -0.965 . . . . 0.0 109.579 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.2 mt -67.44 -39.97 85.41 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.983 -1.073 . . . . 0.0 108.903 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.55 -43.47 93.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.139 -0.976 . . . . 0.0 109.32 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.2 -43.49 95.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.243 -0.911 . . . . 0.0 109.269 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -68.77 -39.99 79.96 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.188 -0.945 . . . . 0.0 108.78 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.15 -44.45 97.31 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.422 -0.799 . . . . 0.0 109.599 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -60.03 -48.83 80.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.074 -1.016 . . . . 0.0 109.042 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.01 -50.04 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.311 -0.868 . . . . 0.0 109.447 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -64.68 -40.93 96.25 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.046 -1.034 . . . . 0.0 109.7 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -60.01 -49.4 77.83 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.196 -0.94 . . . . 0.0 109.838 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -62.72 -41.99 99.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.194 -0.942 . . . . 0.0 110.034 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -63.13 -39.99 96.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.066 -1.021 . . . . 0.0 109.894 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -63.76 -42.34 97.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.986 -1.071 . . . . 0.0 109.479 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 26.9 ttt -69.79 -40.06 76.21 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.102 -0.998 . . . . 0.0 108.684 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -60.04 -49.78 76.33 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.543 -0.723 . . . . 0.0 109.217 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.303 -0.873 . . . . 0.0 109.382 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.0 -41.51 92.27 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.243 -0.911 . . . . 0.0 109.273 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 123' ' ' SER . 93.3 mt-30 -60.78 -40.01 91.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.185 -0.947 . . . . 0.0 109.691 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -59.98 -39.16 84.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.15 -0.969 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.97 -46.82 88.2 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -126.44 61.55 1.3 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.618 -0.676 . . . . 0.0 109.435 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.494 1.772 0 O-C-N 121.064 -1.022 . . . . 0.0 109.22 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 1' ' ' ALA . . . . . 0.41 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.196 0.522 . . . . 0.0 109.629 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -73.89 144.35 45.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.207 -0.933 . . . . 0.0 109.382 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -90.0 59.35 4.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.167 -0.958 . . . . 0.0 109.408 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -64.62 -40.07 94.82 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.399 -0.813 . . . . 0.0 109.395 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.49 HG23 ' N ' ' B' ' 6' ' ' LEU . 9.2 t -59.96 -40.95 90.81 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.23 -0.919 . . . . 0.0 109.437 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.49 ' N ' HG23 ' B' ' 5' ' ' THR . 61.3 tp -61.22 -42.43 98.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 108.7 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.08 -40.07 88.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.409 -0.807 . . . . 0.0 109.235 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.78 89.94 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.145 -0.972 . . . . 0.0 108.597 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.2 -48.58 68.53 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 178.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.07 -48.6 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.4 -1.059 . . . . 0.0 109.887 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.99 -46.42 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.175 -0.953 . . . . 0.0 109.392 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.26 -39.96 88.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.109 -0.995 . . . . 0.0 109.578 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -60.02 -41.72 92.77 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.07 -1.019 . . . . 0.0 109.314 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.57 -40.01 90.1 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.947 -1.096 . . . . 0.0 109.085 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.98 -46.34 89.76 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.263 -0.898 . . . . 0.0 109.178 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -60.06 -44.33 94.8 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.181 -0.949 . . . . 0.0 109.405 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.55 -41.84 97.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.257 -0.902 . . . . 0.0 109.567 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.05 -45.81 91.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.286 -0.884 . . . . 0.0 109.038 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -60.0 -48.85 80.02 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -0.936 . . . . 0.0 109.733 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 68.7 t -59.99 -41.66 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.04 -1.038 . . . . 0.0 109.048 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.94 -49.71 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.128 -0.982 . . . . 0.0 108.824 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -61.83 -40.34 94.94 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.248 -0.907 . . . . 0.0 108.714 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.531 ' NE ' ' OD1' ' C' ' 99' ' ' ASN . 34.1 ttm-85 -60.01 -40.01 87.77 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.697 -0.627 . . . . 0.0 109.311 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.05 -38.93 84.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.12 -0.987 . . . . 0.0 108.722 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.03 -47.27 86.55 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.022 -1.049 . . . . 0.0 109.252 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -62.28 -41.02 98.14 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.702 -1.249 . . . . 0.0 109.254 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.7 tp -60.57 -40.93 93.5 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.291 -0.88 . . . . 0.0 109.143 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.08 -39.94 87.81 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.565 -0.71 . . . . 0.0 109.177 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.468 ' HG2' HH11 ' B' ' 29' ' ' ARG . 39.4 mtt-85 -60.05 -40.34 89.08 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.125 -0.984 . . . . 0.0 108.847 -179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.481 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 93.7 mt -60.33 -41.66 94.0 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.039 -1.038 . . . . 0.0 109.52 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 77.8 p -63.06 -40.17 96.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.904 -1.123 . . . . 0.0 109.139 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.84 -40.0 83.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.546 -0.721 . . . . 0.0 109.123 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -60.08 -43.22 95.63 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.313 -0.867 . . . . 0.0 110.356 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.4 -47.86 88.82 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.881 -1.288 . . . . 0.0 109.881 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 87.2 m -60.0 -50.03 75.36 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.065 -1.256 . . . . 0.0 109.916 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -60.52 -40.07 90.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.073 -1.017 . . . . 0.0 110.037 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.541 HD22 ' NH2' ' B' ' 41' ' ' ARG . 6.8 t-20 -59.95 -40.48 89.17 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.12 -0.988 . . . . 0.0 109.483 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.419 ' O ' HG23 ' B' ' 42' ' ' VAL . 88.8 mt -61.02 -40.21 92.72 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.088 -1.007 . . . . 0.0 109.846 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.99 -42.01 93.3 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.107 -0.995 . . . . 0.0 109.59 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' B' ' 43' ' ' THR . 62.3 p -60.58 -40.08 90.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.098 -1.001 . . . . 0.0 108.949 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.541 ' NH2' HD22 ' B' ' 37' ' ' ASN . 27.2 mtt-85 -69.14 -40.0 78.5 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 38' ' ' LEU . 53.3 t -60.0 -40.97 84.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.349 -0.845 . . . . 0.0 108.977 179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 40' ' ' THR . 43.1 p -60.06 -40.07 88.18 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.063 -1.023 . . . . 0.0 109.218 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.07 96.13 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.138 -0.976 . . . . 0.0 109.015 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.88 -37.81 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.567 -0.708 . . . . 0.0 109.3 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.02 -40.09 88.12 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.077 -1.014 . . . . 0.0 108.374 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.75 -46.27 91.08 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.347 -0.846 . . . . 0.0 109.018 178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.527 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 37.9 m-85 -59.95 -40.04 87.64 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.439 -0.788 . . . . 0.0 110.029 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.02 -39.66 86.62 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.986 -1.071 . . . . 0.0 109.112 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -60.06 -39.9 87.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.921 -1.112 . . . . 0.0 108.723 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.95 -38.75 83.33 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -59.87 -40.06 87.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.295 -0.878 . . . . 0.0 108.94 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.21 78.73 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.857 -1.152 . . . . 0.0 108.239 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -59.96 -40.06 87.73 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.415 -0.803 . . . . 0.0 109.61 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 77.4 mt -70.46 117.85 12.52 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.054 -1.029 . . . . 0.0 108.743 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' ASN . . . . . 0.563 ' CG ' ' H ' ' B' ' 70' ' ' VAL . 24.9 m120 -133.49 -60.34 0.84 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.439 -0.788 . . . . 0.0 110.775 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.686 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -153.71 115.88 4.33 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.131 -0.981 . . . . 0.0 110.3 -178.712 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' TRP . . . . . 0.696 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 92.3 m95 -101.6 124.27 46.98 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.516 -0.74 . . . . 0.0 110.367 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.12 24.42 73.28 Favored Glycine 0 N--CA 1.493 2.471 0 C-N-CA 120.14 -1.029 . . . . 0.0 110.886 178.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.497 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -76.59 22.91 0.17 Allowed 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.787 -1.419 . . . . 0.0 109.399 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.54 112.02 1.9 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.21 -0.931 . . . . 0.0 109.684 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -108.61 12.52 25.87 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.258 -0.901 . . . . 0.0 109.957 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -135.6 24.37 3.42 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.272 -0.893 . . . . 0.0 108.727 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 29.8 mp0 -148.15 151.95 36.46 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.4 t -103.02 59.27 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.64 157.62 43.19 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.548 -0.72 . . . . 0.0 109.475 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -129.77 133.84 47.23 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.506 HG23 ' O ' ' B' ' 68' ' ' THR . 6.1 t -88.57 115.06 25.82 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.783 -1.198 . . . . 0.0 109.405 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.558 HG23 ' O ' ' B' ' 69' ' ' THR . 8.8 t -110.88 120.77 43.5 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.563 ' H ' ' CG ' ' B' ' 56' ' ' ASN . 90.3 t -123.05 83.42 50.91 Favored Pre-proline 0 N--CA 1.496 1.834 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -86.38 61.71 4.72 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.862 2.375 . . . . 0.0 111.606 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.405 ' O ' ' C ' ' B' ' 73' ' ' PRO . 26.7 t90 -70.07 130.93 89.27 Favored Pre-proline 0 N--CA 1.489 1.488 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.405 ' C ' ' O ' ' B' ' 72' ' ' TRP . 93.3 Cg_exo -40.61 148.27 0.21 Allowed 'Trans proline' 0 N--CA 1.488 1.177 0 C-N-CA 121.272 1.315 . . . . 0.0 110.805 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.517 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 1.9 t-20 -130.9 -38.86 1.24 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.238 -0.913 . . . . 0.0 109.212 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.12 124.81 39.36 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 7.5 t -83.71 105.35 14.55 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.1 mt -83.23 134.89 34.93 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.609 0.719 . . . . 0.0 109.93 -178.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.579 HG23 ' O ' ' B' ' 78' ' ' THR . 6.2 t -94.86 113.11 60.47 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.578 -0.701 . . . . 0.0 109.569 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -89.37 -48.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.171 0 C-N-CA 121.669 1.58 . . . . 0.0 113.619 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -122.44 -43.43 2.29 Favored 'General case' 0 N--CA 1.506 2.346 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.651 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.1 p90 -60.01 -49.9 75.84 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.446 -1.409 . . . . 0.0 112.871 -175.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.651 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 45.8 t30 -72.0 -42.31 66.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 119.949 -1.719 . . . . 0.0 109.802 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -60.44 -50.09 74.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.328 -0.858 . . . . 0.0 110.41 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.39 -43.01 99.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.93 -1.106 . . . . 0.0 109.762 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 85' ' ' THR . . . . . 0.44 HG23 ' O ' ' B' ' 81' ' ' TRP . 77.1 p -70.01 -39.96 75.53 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.205 -0.935 . . . . 0.0 109.278 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -68.05 -38.78 82.86 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.236 -0.915 . . . . 0.0 108.951 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -60.06 -39.99 87.93 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.259 -0.901 . . . . 0.0 108.806 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.56 -40.12 95.83 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.816 -1.177 . . . . 0.0 109.136 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.454 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 62.0 t90 -59.98 -50.0 75.47 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.215 -0.928 . . . . 0.0 111.026 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -67.38 -39.8 85.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.686 -1.259 . . . . 0.0 109.037 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.0 -41.43 92.06 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.176 -0.952 . . . . 0.0 110.131 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -59.91 -44.66 94.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.569 -1.332 . . . . 0.0 108.455 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.63 -40.15 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.397 -0.815 . . . . 0.0 108.98 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 94' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 56.5 t0 -60.06 -43.0 95.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.297 -0.877 . . . . 0.0 110.182 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -69.37 -40.03 77.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.928 -1.107 . . . . 0.0 109.054 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 68.6 mt -67.16 -40.05 86.57 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.247 -0.908 . . . . 0.0 108.875 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 97' ' ' GLU . . . . . 0.412 ' OE2' ' NH2' ' B' ' 29' ' ' ARG . 89.0 tt0 -59.92 -46.37 89.57 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.285 -0.885 . . . . 0.0 109.483 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.02 -44.77 94.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.12 -0.987 . . . . 0.0 109.269 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.548 ' OD1' ' NE ' ' A' ' 23' ' ' ARG . 14.4 t-20 -61.99 -42.3 98.99 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.249 -0.907 . . . . 0.0 109.61 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 93.2 mt -60.02 -46.24 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.148 -0.97 . . . . 0.0 109.197 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 68.3 p -62.05 -40.03 94.39 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.222 -0.924 . . . . 0.0 109.489 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.95 -46.44 89.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.197 -0.939 . . . . 0.0 109.575 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -67.36 -39.96 85.75 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.063 -1.023 . . . . 0.0 109.034 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.69 -43.48 93.37 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.954 . . . . 0.0 109.219 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.14 -43.49 95.69 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.105 -0.997 . . . . 0.0 109.327 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.77 -39.95 79.97 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.275 -0.891 . . . . 0.0 108.85 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.49 97.2 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.444 -0.785 . . . . 0.0 109.598 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -59.94 -48.68 80.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.036 -1.04 . . . . 0.0 109.004 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 91.6 mt -59.99 -50.03 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.254 -0.904 . . . . 0.0 109.534 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -64.94 -40.89 95.71 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.019 -1.051 . . . . 0.0 109.665 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -60.01 -49.46 77.59 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.228 -0.92 . . . . 0.0 109.912 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -62.53 -41.94 99.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.891 . . . . 0.0 110.107 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -63.31 -39.97 96.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.164 -0.96 . . . . 0.0 109.957 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -63.61 -42.52 98.22 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.068 -1.02 . . . . 0.0 109.532 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 26.8 ttt -69.64 -40.11 76.72 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.139 -0.976 . . . . 0.0 108.642 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -60.0 -49.79 76.27 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.591 -0.693 . . . . 0.0 109.227 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -40.03 88.09 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.317 -0.864 . . . . 0.0 109.545 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.94 -41.49 91.93 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.328 -0.858 . . . . 0.0 109.265 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' B' ' 123' ' ' SER . 93.4 mt-30 -60.69 -40.08 90.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.13 -0.981 . . . . 0.0 109.718 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -60.02 -39.17 84.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.168 -0.958 . . . . 0.0 109.246 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.9 -46.86 88.0 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -126.23 61.32 1.29 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.573 -0.704 . . . . 0.0 109.456 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.545 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.823 0 O-C-N 121.009 -1.057 . . . . 0.0 109.101 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 1' ' ' ALA . . . . . 0.414 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 2' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 96.3 mt-30 -73.93 144.31 45.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.243 -0.91 . . . . 0.0 109.374 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -89.87 59.33 4.55 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.173 -0.955 . . . . 0.0 109.427 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -64.57 -40.07 94.89 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.348 -0.845 . . . . 0.0 109.344 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.49 HG23 ' N ' ' C' ' 6' ' ' LEU . 8.8 t -59.98 -41.26 91.62 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.174 -0.954 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.49 ' N ' HG23 ' C' ' 5' ' ' THR . 61.1 tp -60.75 -42.68 97.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.148 -0.97 . . . . 0.0 108.762 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 20.8 mt -60.22 -39.88 88.19 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.45 -0.781 . . . . 0.0 109.27 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.75 90.39 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.187 -0.946 . . . . 0.0 108.523 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.08 -48.61 68.7 Favored Glycine 0 N--CA 1.487 2.071 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.06 -48.68 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.387 -1.067 . . . . 0.0 109.871 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.96 -46.33 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.109 -0.994 . . . . 0.0 109.399 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.36 -39.9 88.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.145 -0.972 . . . . 0.0 109.516 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -60.1 -41.89 93.49 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.098 -1.001 . . . . 0.0 109.358 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -60.38 -40.0 89.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.945 -1.097 . . . . 0.0 109.126 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.05 -46.36 89.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.262 -0.899 . . . . 0.0 109.136 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -59.99 -44.52 94.46 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.111 -0.993 . . . . 0.0 109.298 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.36 -42.11 98.16 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.0 109.571 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.92 -45.73 91.66 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.303 -0.873 . . . . 0.0 109.167 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -59.94 -49.02 79.33 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.21 -0.931 . . . . 0.0 109.745 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.94 -41.58 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.156 -0.965 . . . . 0.0 108.941 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.0 -49.88 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.084 -1.01 . . . . 0.0 108.718 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.69 -40.25 94.34 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.231 -0.918 . . . . 0.0 108.793 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.542 ' NE ' ' OD1' ' A' ' 99' ' ' ASN . 34.4 ttm-85 -60.03 -40.01 87.86 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.632 -0.667 . . . . 0.0 109.33 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -59.99 -39.14 84.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.105 -0.997 . . . . 0.0 108.698 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -59.94 -47.23 86.64 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.981 -1.075 . . . . 0.0 109.204 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -62.31 -41.02 98.18 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.576 -1.327 . . . . 0.0 109.216 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.74 -40.58 92.95 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.331 -0.855 . . . . 0.0 109.235 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.0 -40.02 87.76 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.452 -0.78 . . . . 0.0 109.239 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 29' ' ' ARG . . . . . 0.466 ' HG2' HH11 ' C' ' 29' ' ' ARG . 39.4 mtt-85 -60.01 -40.47 89.38 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.995 -1.065 . . . . 0.0 108.865 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.464 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 93.1 mt -60.24 -41.95 94.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.035 -1.041 . . . . 0.0 109.553 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.5 p -62.89 -40.13 96.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.893 -1.129 . . . . 0.0 109.184 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.91 -40.05 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.425 -0.797 . . . . 0.0 109.082 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -59.98 -43.08 95.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.37 -0.831 . . . . 0.0 110.379 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.71 -47.73 89.5 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 85.1 m -60.02 -50.01 75.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.117 -1.225 . . . . 0.0 109.929 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -60.59 -39.97 90.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.073 -1.017 . . . . 0.0 110.088 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 37' ' ' ASN . . . . . 0.55 HD22 ' NH2' ' C' ' 41' ' ' ARG . 6.9 t-20 -60.07 -40.36 89.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.162 -0.961 . . . . 0.0 109.526 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.407 ' O ' HG23 ' C' ' 42' ' ' VAL . 89.0 mt -61.0 -40.3 92.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.173 -0.954 . . . . 0.0 109.92 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.94 -42.09 93.25 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.177 -0.952 . . . . 0.0 109.572 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 62.3 p -60.5 -40.0 89.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.01 -1.056 . . . . 0.0 108.906 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.55 ' NH2' HD22 ' C' ' 37' ' ' ASN . 26.1 mtt-85 -69.3 -39.94 78.0 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.184 -0.948 . . . . 0.0 108.553 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 42' ' ' VAL . . . . . 0.407 HG23 ' O ' ' C' ' 38' ' ' LEU . 53.1 t -60.05 -41.01 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.421 -0.799 . . . . 0.0 108.856 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 42.7 p -60.01 -40.03 87.82 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.016 -1.053 . . . . 0.0 109.331 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.03 96.12 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.041 -1.037 . . . . 0.0 108.862 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.86 -37.84 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.538 -0.726 . . . . 0.0 109.363 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -60.01 -40.07 87.96 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.063 -1.023 . . . . 0.0 108.447 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.67 -46.1 91.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.363 -0.836 . . . . 0.0 109.132 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 37.9 m-85 -60.14 -39.96 88.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.485 -0.759 . . . . 0.0 110.122 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.04 -39.88 87.47 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.106 -0.996 . . . . 0.0 108.967 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -59.92 -39.95 87.18 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.984 -1.072 . . . . 0.0 108.605 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -59.93 -38.83 83.5 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -59.95 -39.95 87.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.401 -0.812 . . . . 0.0 108.909 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.17 -38.07 78.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.853 -1.154 . . . . 0.0 108.183 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.94 -40.05 87.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.338 -0.851 . . . . 0.0 109.729 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 77.9 mt -70.55 117.75 12.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.045 -1.034 . . . . 0.0 108.734 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 56' ' ' ASN . . . . . 0.526 ' CG ' ' H ' ' C' ' 70' ' ' VAL . 24.7 m120 -133.28 -60.63 0.84 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.299 -0.876 . . . . 0.0 110.681 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 57' ' ' ALA . . . . . 0.696 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -153.5 116.28 4.49 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.067 -1.02 . . . . 0.0 110.247 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 58' ' ' TRP . . . . . 0.69 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 92.1 m95 -101.83 124.29 47.21 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.488 -0.757 . . . . 0.0 110.348 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 59' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.15 24.53 73.35 Favored Glycine 0 N--CA 1.49 2.284 0 C-N-CA 120.176 -1.011 . . . . 0.0 110.897 178.418 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 60' ' ' ALA . . . . . 0.473 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -76.61 22.73 0.17 Allowed 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.791 -1.417 . . . . 0.0 109.384 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 61' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.52 111.74 1.88 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.206 -0.934 . . . . 0.0 109.781 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -108.35 12.72 26.15 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.319 -0.863 . . . . 0.0 110.037 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 69.1 mtm180 -135.62 24.39 3.41 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.263 -0.898 . . . . 0.0 108.596 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 30.0 mp0 -148.21 151.88 36.25 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -102.79 59.06 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.71 157.36 42.87 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.461 -0.774 . . . . 0.0 109.551 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -129.24 134.2 47.87 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.515 HG23 ' O ' ' C' ' 68' ' ' THR . 6.0 t -88.91 114.96 26.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.739 -1.226 . . . . 0.0 109.37 -178.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 69' ' ' THR . . . . . 0.57 HG23 ' O ' ' C' ' 69' ' ' THR . 8.8 t -110.96 120.71 43.3 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 70' ' ' VAL . . . . . 0.526 ' H ' ' CG ' ' C' ' 56' ' ' ASN . 91.1 t -122.86 83.51 49.78 Favored Pre-proline 0 N--CA 1.494 1.76 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -86.53 61.77 4.59 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.831 2.354 . . . . 0.0 111.663 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 72' ' ' TRP . . . . . 0.41 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 26.3 t90 -69.95 130.79 89.6 Favored Pre-proline 0 C--N 1.303 -1.455 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 73' ' ' PRO . . . . . 0.41 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 91.5 Cg_exo -40.42 148.84 0.17 Allowed 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 121.325 1.35 . . . . 0.0 110.781 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.527 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 65.3 t30 -131.54 -38.5 1.17 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.164 -0.96 . . . . 0.0 109.232 -179.009 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.62 124.52 39.68 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.9 t -83.54 105.28 14.35 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 38.7 mt -83.08 134.97 34.99 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 121.577 0.703 . . . . 0.0 109.849 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.58 HG23 ' O ' ' C' ' 78' ' ' THR . 6.0 t -95.13 113.08 60.65 Favored Pre-proline 0 N--CA 1.495 1.775 0 O-C-N 121.643 -0.661 . . . . 0.0 109.462 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -89.37 -48.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.227 0 C-N-CA 121.576 1.518 . . . . 0.0 113.511 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -122.2 -43.54 2.31 Favored 'General case' 0 N--CA 1.506 2.358 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -177.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.657 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.1 p90 -60.04 -49.52 77.34 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.418 -1.426 . . . . 0.0 112.834 -175.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.657 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 45.6 t30 -72.14 -42.61 65.8 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 119.952 -1.717 . . . . 0.0 109.829 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.05 -50.0 75.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.923 . . . . 0.0 110.453 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.63 -42.85 99.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.776 -1.203 . . . . 0.0 109.775 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 85' ' ' THR . . . . . 0.437 HG23 ' O ' ' C' ' 81' ' ' TRP . 77.2 p -70.06 -39.99 75.33 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.084 -1.01 . . . . 0.0 109.239 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 46.1 t-105 -67.95 -38.61 83.01 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.341 -0.849 . . . . 0.0 109.001 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -60.08 -39.99 87.99 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.128 -0.983 . . . . 0.0 108.846 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -62.8 -39.94 95.81 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.758 -1.214 . . . . 0.0 109.18 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.481 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.5 t90 -60.02 -50.03 75.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.362 -0.836 . . . . 0.0 110.859 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -67.33 -39.95 85.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.62 -1.3 . . . . 0.0 109.108 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -59.98 -41.17 91.41 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.144 -0.972 . . . . 0.0 110.128 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -60.1 -44.54 94.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.688 -1.258 . . . . 0.0 108.476 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.82 -40.01 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.442 -0.786 . . . . 0.0 108.93 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 94' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' C' ' 94' ' ' ASP . 57.1 t0 -59.98 -42.69 94.74 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.524 -0.735 . . . . 0.0 110.316 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -69.88 -39.96 75.98 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.922 -1.111 . . . . 0.0 109.015 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 70.8 mt -67.06 -40.08 87.02 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.252 -0.905 . . . . 0.0 108.866 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 97' ' ' GLU . . . . . 0.42 ' OE2' ' NH2' ' C' ' 29' ' ' ARG . 88.9 tt0 -59.97 -46.39 89.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.262 -0.899 . . . . 0.0 109.521 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -44.68 94.45 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.093 -1.004 . . . . 0.0 109.231 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 99' ' ' ASN . . . . . 0.531 ' OD1' ' NE ' ' B' ' 23' ' ' ARG . 14.4 t-20 -62.12 -42.08 98.88 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.235 -0.916 . . . . 0.0 109.668 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.1 -46.99 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.028 -1.045 . . . . 0.0 108.939 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 71.6 p -61.22 -40.1 92.74 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.246 -0.909 . . . . 0.0 109.705 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.91 -46.35 89.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.096 -1.002 . . . . 0.0 109.673 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.41 -40.01 85.53 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.064 -1.022 . . . . 0.0 108.951 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.67 -43.54 93.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.212 -0.93 . . . . 0.0 109.251 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.02 -43.59 95.15 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.222 -0.924 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.69 -40.01 80.27 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.225 -0.922 . . . . 0.0 108.839 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.39 97.36 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.415 -0.803 . . . . 0.0 109.612 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -60.01 -48.77 80.32 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.148 -0.97 . . . . 0.0 109.025 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.0 -50.01 81.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.564 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -64.87 -40.8 95.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.069 -1.019 . . . . 0.0 109.709 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -60.07 -49.28 78.27 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.243 -0.911 . . . . 0.0 109.79 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.97 -41.9 99.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.296 -0.877 . . . . 0.0 109.99 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.21 -40.01 96.26 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.048 -1.032 . . . . 0.0 109.983 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -63.23 -42.51 99.23 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.087 -1.008 . . . . 0.0 109.653 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 26.9 ttt -69.87 -40.04 75.95 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.088 -1.007 . . . . 0.0 108.673 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -60.06 -49.8 76.21 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.339 -0.851 . . . . 0.0 109.39 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.94 -41.32 91.58 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.245 -0.91 . . . . 0.0 109.5 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' C' ' 123' ' ' SER . 93.4 mt-30 -60.98 -40.03 91.89 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.085 -1.01 . . . . 0.0 109.611 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -59.95 -39.04 84.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.174 -0.954 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.99 -46.75 88.45 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -126.47 61.44 1.3 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.547 -0.721 . . . . 0.0 109.425 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.545 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.824 0 O-C-N 120.981 -1.074 . . . . 0.0 109.11 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -68.68 143.36 54.77 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.336 -0.852 . . . . 0.0 109.127 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -90.0 61.16 5.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.214 -0.928 . . . . 0.0 109.007 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.405 HH11 ' HG3' ' A' ' 4' ' ' ARG . 34.6 mtm-85 -62.79 -39.95 95.8 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.448 -0.782 . . . . 0.0 109.212 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 6' ' ' LEU . 7.9 t -59.99 -42.82 95.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.188 -0.945 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.517 ' N ' HG23 ' A' ' 5' ' ' THR . 59.2 tp -62.7 -40.03 95.87 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.073 -1.017 . . . . 0.0 109.345 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.9 mt -64.97 -38.99 92.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.369 -0.832 . . . . 0.0 109.958 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.05 88.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.034 -1.041 . . . . 0.0 108.793 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.94 -47.32 60.91 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 108.687 -1.765 . . . . 0.0 108.687 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.91 -49.12 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.34 -1.094 . . . . 0.0 109.018 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.95 -43.26 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.0 108.935 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.4 -40.04 92.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.308 -0.87 . . . . 0.0 109.256 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.03 -42.15 93.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.26 -0.9 . . . . 0.0 109.451 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.13 -42.13 94.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.97 -1.081 . . . . 0.0 109.024 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -60.0 -47.25 86.62 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.345 -0.847 . . . . 0.0 109.191 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.04 -42.29 94.1 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.239 -0.913 . . . . 0.0 109.615 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.33 -43.07 99.68 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.164 -0.96 . . . . 0.0 108.907 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.01 -44.33 94.64 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.481 -0.762 . . . . 0.0 109.272 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 19' ' ' ASP . 53.3 t0 -60.12 -46.77 88.51 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.085 -1.009 . . . . 0.0 109.799 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.2 -40.0 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.998 -1.064 . . . . 0.0 109.571 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.04 -41.84 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.125 -0.984 . . . . 0.0 108.553 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.44 -41.38 93.9 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.631 -0.668 . . . . 0.0 109.376 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.471 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 32.0 mmt180 -60.59 -41.12 94.05 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 109.752 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.12 -39.92 87.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.144 -0.973 . . . . 0.0 109.262 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -60.01 -46.1 90.61 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.251 -0.906 . . . . 0.0 109.215 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.83 -40.17 94.75 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.122 -0.986 . . . . 0.0 109.424 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.0 tp -64.18 -40.3 95.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 109.177 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.16 -40.15 88.9 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.369 -0.832 . . . . 0.0 109.354 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.69 -40.79 93.5 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.363 -0.835 . . . . 0.0 109.817 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.554 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.7 mt -62.81 -40.81 98.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.213 -0.929 . . . . 0.0 109.773 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -62.54 -39.93 95.19 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.957 -1.089 . . . . 0.0 109.381 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.46 -39.96 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.288 -0.882 . . . . 0.0 109.256 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -59.97 -42.6 94.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.205 -0.935 . . . . 0.0 110.102 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -48.77 84.43 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -59.95 -50.09 75.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.142 -1.211 . . . . 0.0 109.937 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -61.04 -40.02 92.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.098 -1.001 . . . . 0.0 110.025 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -59.95 -40.79 90.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.128 -0.983 . . . . 0.0 109.266 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.87 -39.92 91.04 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.232 -0.918 . . . . 0.0 109.858 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -60.02 -40.34 88.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.976 -1.077 . . . . 0.0 109.775 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.2 p -60.05 -40.37 89.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.029 -1.045 . . . . 0.0 108.42 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.536 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 37.4 mtt-85 -68.96 -40.0 79.15 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.502 -0.748 . . . . 0.0 109.017 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.0 -42.59 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.21 -0.931 . . . . 0.0 108.651 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.2 p -59.99 -40.04 87.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.946 -1.096 . . . . 0.0 109.015 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.13 94.66 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.912 . . . . 0.0 108.61 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.6 mt -59.96 -39.29 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.638 -0.664 . . . . 0.0 109.368 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.99 -39.99 87.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.148 -0.97 . . . . 0.0 109.34 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -64.61 -39.96 94.64 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.795 -1.191 . . . . 0.0 109.681 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 54.2 m-85 -66.24 -39.62 89.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.912 -1.117 . . . . 0.0 109.533 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.715 HD23 HE22 ' A' ' 52' ' ' GLN . 82.2 mt -60.07 -39.94 87.82 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.182 -0.949 . . . . 0.0 108.595 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -60.01 -39.96 87.6 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.827 -1.17 . . . . 0.0 108.655 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -60.02 -39.2 85.01 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.234 -0.916 . . . . 0.0 108.881 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.735 ' NE2' ' NE2' ' B' ' 52' ' ' GLN . 10.0 mt-30 -59.97 -40.03 87.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.034 -1.041 . . . . 0.0 109.128 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.87 -39.98 75.32 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -59.99 -39.56 86.17 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.72 114.84 7.43 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.3 -0.875 . . . . 0.0 108.715 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -134.83 -65.54 0.62 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.35 -0.844 . . . . 0.0 110.714 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.762 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -153.94 116.38 4.37 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.42 -0.8 . . . . 0.0 109.824 -178.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TRP . . . . . 0.77 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 82.2 m95 -100.04 125.52 46.11 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.416 -0.802 . . . . 0.0 110.175 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 64.91 27.3 72.0 Favored Glycine 0 N--CA 1.489 2.231 0 C-N-CA 120.016 -1.088 . . . . 0.0 110.701 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.491 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -75.69 22.62 0.13 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.631 -1.511 . . . . 0.0 108.966 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.47 115.88 2.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.207 -0.933 . . . . 0.0 109.511 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.464 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 33.0 m-85 -118.2 11.99 13.36 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 121.318 -0.864 . . . . 0.0 110.673 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.415 HH11 ' HG3' ' A' ' 63' ' ' ARG . 2.6 ptm180 -137.52 24.73 2.91 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . 0.452 ' NE2' ' CG ' ' C' ' 62' ' ' PHE . 30.1 mt-30 -143.64 152.62 41.59 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -179.15 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -102.61 56.31 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.21 157.89 43.22 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.471 -0.768 . . . . 0.0 110.115 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -129.99 135.04 47.84 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 68' ' ' THR . 7.2 t -89.64 113.57 25.05 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.464 -1.398 . . . . 0.0 109.567 -178.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.5 122.66 48.33 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.5 t -129.66 84.01 62.71 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.506 -0.746 . . . . 0.0 109.494 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -85.77 62.97 5.45 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 122.744 2.296 . . . . 0.0 111.331 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' PRO . 13.0 t90 -69.8 130.56 90.07 Favored Pre-proline 0 N--CA 1.488 1.473 0 O-C-N 121.412 -0.805 . . . . 0.0 109.037 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' TRP . 85.9 Cg_exo -39.58 147.93 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.166 0 C-N-CA 121.49 1.46 . . . . 0.0 110.911 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.513 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 64.9 t30 -132.03 -35.6 1.21 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.391 -0.818 . . . . 0.0 109.439 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.69 126.85 42.15 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 t -80.96 110.0 16.08 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.2 mt -77.53 138.53 39.24 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.599 0.714 . . . . 0.0 109.357 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 78' ' ' THR . 10.0 t -139.03 85.77 15.62 Favored Pre-proline 0 N--CA 1.493 1.712 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.425 ' CD ' ' H ' ' A' ' 80' ' ' LYS . 17.4 Cg_endo -102.23 -44.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 123.604 2.87 . . . . 0.0 114.293 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.425 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 55.5 tttm -79.29 -47.94 14.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.185 -0.947 . . . . 0.0 113.13 -176.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' TRP . . . . . 0.515 ' CE2' ' OG1' ' A' ' 78' ' ' THR . 4.2 p90 -82.88 -43.59 16.38 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 120.391 -1.443 . . . . 0.0 112.532 -177.254 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.52 ' OD1' ' NH2' ' C' ' 41' ' ' ARG . 38.0 t30 -69.34 -39.98 77.84 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.483 -1.386 . . . . 0.0 110.564 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -60.0 -49.98 75.55 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.958 -1.089 . . . . 0.0 110.03 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -60.36 -42.45 95.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.924 -1.11 . . . . 0.0 109.784 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.7 p -69.65 -40.02 76.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.186 -0.946 . . . . 0.0 109.432 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -67.47 -39.99 85.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.078 -1.014 . . . . 0.0 109.748 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.04 -41.13 91.61 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.775 -1.203 . . . . 0.0 108.751 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.01 -43.54 95.18 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.876 -1.14 . . . . 0.0 108.158 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TRP . . . . . 0.565 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 66.3 t90 -60.14 -49.93 75.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.5 -0.75 . . . . 0.0 109.691 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.61 -40.47 88.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.38 -0.825 . . . . 0.0 109.407 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.466 ' HG2' HH11 ' A' ' 91' ' ' ARG . 33.0 mtt-85 -65.41 -39.93 92.76 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.285 -0.884 . . . . 0.0 109.9 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -60.13 -43.22 95.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.946 -1.097 . . . . 0.0 108.804 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.16 -40.83 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.339 -0.851 . . . . 0.0 109.498 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -60.08 -44.91 94.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.131 -0.98 . . . . 0.0 110.282 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -64.84 -40.1 94.62 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.878 -1.139 . . . . 0.0 109.663 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.1 mt -66.21 -40.67 90.49 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.271 -0.893 . . . . 0.0 109.34 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.44 -42.52 99.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.141 -0.974 . . . . 0.0 109.191 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.05 -47.75 84.59 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.402 -0.812 . . . . 0.0 109.534 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.462 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.9 t-20 -60.11 -44.7 94.67 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.312 -0.868 . . . . 0.0 109.0 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.04 -46.9 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.411 -0.805 . . . . 0.0 109.76 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.1 p -59.98 -41.79 92.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.989 -1.07 . . . . 0.0 109.201 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -50.06 75.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.273 -0.892 . . . . 0.0 109.518 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.06 -43.07 95.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.329 -0.857 . . . . 0.0 109.534 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.56 -41.75 99.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.224 -0.923 . . . . 0.0 109.413 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.95 -46.83 88.14 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.076 -1.015 . . . . 0.0 109.05 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -62.7 -40.44 97.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.178 -0.952 . . . . 0.0 108.96 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.6 -43.73 97.09 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.341 -0.849 . . . . 0.0 109.485 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.02 -48.66 80.78 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.049 -1.032 . . . . 0.0 108.842 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.7 mt -59.99 -49.97 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.412 -0.805 . . . . 0.0 109.709 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -68.89 -40.05 79.41 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.195 -0.941 . . . . 0.0 109.558 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.65 -49.93 75.53 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.268 -0.895 . . . . 0.0 109.436 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.67 -39.99 91.93 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.276 -0.89 . . . . 0.0 109.326 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -63.88 -39.99 95.48 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.318 -0.864 . . . . 0.0 109.965 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -65.44 -44.42 87.32 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.935 -1.103 . . . . 0.0 109.46 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.9 ttm -68.84 -39.97 79.65 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -60.04 -49.94 75.67 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.588 -0.695 . . . . 0.0 109.189 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.83 -39.99 91.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.239 -0.913 . . . . 0.0 109.255 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.0 -42.07 93.46 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.343 -0.848 . . . . 0.0 109.392 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.3 mt-30 -61.33 -40.71 95.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.106 -0.996 . . . . 0.0 109.678 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.03 -39.98 87.73 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.389 -0.819 . . . . 0.0 109.449 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 90.4 mt -58.57 -46.57 86.62 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -125.81 61.22 1.25 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.59 -0.694 . . . . 0.0 109.387 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 119' ' ' GLN . 2.3 p . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.036 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -68.85 143.5 54.52 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.326 -0.859 . . . . 0.0 109.051 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -89.99 61.19 5.17 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 108.99 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' ARG . . . . . 0.419 HH11 ' HG3' ' B' ' 4' ' ' ARG . 34.7 mtm-85 -62.85 -40.02 96.17 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.51 -0.744 . . . . 0.0 109.216 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.511 HG23 ' N ' ' B' ' 6' ' ' LEU . 8.0 t -59.97 -42.31 93.86 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.17 -0.956 . . . . 0.0 109.329 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.511 ' N ' HG23 ' B' ' 5' ' ' THR . 58.8 tp -63.29 -40.14 96.54 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.184 -0.947 . . . . 0.0 109.401 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.1 mt -64.99 -39.09 92.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.357 -0.84 . . . . 0.0 109.913 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.01 87.7 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.054 -1.029 . . . . 0.0 108.676 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.99 -47.29 60.81 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 108.736 -1.746 . . . . 0.0 108.736 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.99 -48.76 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.427 -1.043 . . . . 0.0 109.077 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.02 -43.31 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.295 -0.878 . . . . 0.0 109.037 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.64 -39.99 93.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.365 -0.834 . . . . 0.0 109.232 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.94 -41.91 92.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.209 -0.932 . . . . 0.0 109.458 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.52 -42.03 95.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.112 -0.992 . . . . 0.0 109.029 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.0 -47.09 87.25 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.334 -0.854 . . . . 0.0 109.215 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.16 -42.07 94.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.246 -0.909 . . . . 0.0 109.649 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.5 -43.03 99.8 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.24 -0.913 . . . . 0.0 108.776 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.1 -44.46 94.82 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.514 -0.741 . . . . 0.0 109.283 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -60.1 -46.24 90.26 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.173 -0.955 . . . . 0.0 109.915 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.59 -39.98 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.968 -1.082 . . . . 0.0 109.441 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.06 -41.8 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -60.66 -41.37 94.89 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.599 -0.688 . . . . 0.0 109.38 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ARG . . . . . 0.492 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 32.1 mmt180 -60.74 -40.61 93.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.335 -0.853 . . . . 0.0 109.831 -179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.54 -39.94 89.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.155 -0.965 . . . . 0.0 109.119 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -60.06 -45.96 91.13 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.21 -0.931 . . . . 0.0 109.195 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -65.1 -40.03 93.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.097 -1.002 . . . . 0.0 109.401 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 tp -64.21 -40.13 95.42 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.309 -0.87 . . . . 0.0 109.253 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.12 -40.04 88.35 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.477 -0.765 . . . . 0.0 109.455 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.0 -40.51 93.82 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.259 -0.901 . . . . 0.0 109.691 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.591 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.9 mt -63.09 -40.55 97.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.189 -0.945 . . . . 0.0 109.646 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 82.7 p -62.69 -39.99 95.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.15 -0.969 . . . . 0.0 109.403 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.1 t -62.31 -40.05 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.247 -0.908 . . . . 0.0 109.257 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -60.01 -42.5 94.44 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.27 -0.894 . . . . 0.0 110.095 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -48.87 83.94 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.714 -1.355 . . . . 0.0 109.714 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.0 -49.99 75.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.057 -1.261 . . . . 0.0 109.982 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -61.09 -39.95 91.86 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.163 -0.961 . . . . 0.0 109.974 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -60.03 -40.97 91.18 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.102 -0.999 . . . . 0.0 109.232 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.53 -40.08 90.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.142 -0.974 . . . . 0.0 109.855 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -59.95 -40.26 88.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.091 -1.006 . . . . 0.0 109.792 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 55.9 p -60.18 -40.29 89.47 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.003 -1.06 . . . . 0.0 108.407 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ARG . . . . . 0.539 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 36.4 mtt-85 -68.99 -39.91 79.1 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.513 -0.742 . . . . 0.0 109.026 178.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.96 -42.63 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.178 -0.951 . . . . 0.0 108.623 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 55.9 p -60.08 -39.98 87.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.046 -1.034 . . . . 0.0 109.044 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.9 95.08 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.02 -39.34 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.628 -0.67 . . . . 0.0 109.34 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.195 -0.94 . . . . 0.0 109.416 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -64.46 -40.4 95.64 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.819 -1.175 . . . . 0.0 109.633 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 55.1 m-85 -65.85 -39.7 91.01 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.976 -1.077 . . . . 0.0 109.637 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LEU . . . . . 0.737 HD23 HE22 ' B' ' 52' ' ' GLN . 82.1 mt -60.13 -39.84 87.68 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.153 -0.967 . . . . 0.0 108.615 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.11 -39.97 88.05 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.941 -1.1 . . . . 0.0 108.589 178.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -60.0 -39.22 85.01 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.266 -0.896 . . . . 0.0 108.994 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.739 ' NE2' ' NE2' ' C' ' 52' ' ' GLN . 9.8 mt-30 -59.94 -40.06 87.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.009 -1.057 . . . . 0.0 109.088 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.9 -40.06 75.56 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -60.02 -39.66 86.62 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 90.3 mt -68.54 114.89 7.34 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.305 -0.872 . . . . 0.0 108.734 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -134.91 -65.34 0.63 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.449 -0.782 . . . . 0.0 110.565 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.77 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.24 116.41 4.28 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.285 -0.884 . . . . 0.0 109.827 -178.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' TRP . . . . . 0.78 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 82.2 m95 -99.89 125.11 45.81 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.316 -0.865 . . . . 0.0 110.215 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 65.23 27.51 72.48 Favored Glycine 0 N--CA 1.491 2.357 0 C-N-CA 120.006 -1.092 . . . . 0.0 110.602 178.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ALA . . . . . 0.473 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -75.87 22.86 0.14 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.652 -1.499 . . . . 0.0 108.932 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.87 115.7 2.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.299 -0.876 . . . . 0.0 109.583 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' PHE . . . . . 0.46 ' CG ' ' NE2' ' C' ' 64' ' ' GLN . 33.0 m-85 -117.95 12.37 13.71 Favored 'General case' 0 N--CA 1.509 2.481 0 O-C-N 121.326 -0.859 . . . . 0.0 110.761 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.425 HH11 ' HG3' ' B' ' 63' ' ' ARG . 2.5 ptm180 -137.62 24.72 2.88 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 177.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLN . . . . . 0.464 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 30.1 mt-30 -143.77 152.7 41.57 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.62 56.36 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.15 157.88 43.27 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.534 -0.729 . . . . 0.0 110.085 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -129.99 134.8 47.67 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' THR . . . . . 0.56 HG23 ' O ' ' B' ' 68' ' ' THR . 7.2 t -89.48 113.6 24.99 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.471 -1.393 . . . . 0.0 109.578 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.64 122.81 48.76 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.5 t -129.7 83.82 63.2 Favored Pre-proline 0 N--CA 1.495 1.817 0 O-C-N 121.562 -0.711 . . . . 0.0 109.597 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -85.78 62.95 5.44 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 122.754 2.303 . . . . 0.0 111.328 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' TRP . . . . . 0.41 ' O ' ' C ' ' B' ' 73' ' ' PRO . 13.5 t90 -69.89 130.74 89.75 Favored Pre-proline 0 N--CA 1.489 1.524 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' B' ' 72' ' ' TRP . 84.9 Cg_exo -39.61 147.99 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.17 0 C-N-CA 121.371 1.38 . . . . 0.0 110.974 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' ASN . . . . . 0.517 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 65.0 t30 -132.12 -35.95 1.18 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.293 -0.88 . . . . 0.0 109.331 -179.196 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.57 126.88 42.07 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.2 t -81.01 109.67 15.82 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -77.16 138.62 39.59 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.555 0.693 . . . . 0.0 109.495 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' THR . . . . . 0.748 HG23 ' O ' ' B' ' 78' ' ' THR . 10.0 t -139.13 85.61 15.59 Favored Pre-proline 0 N--CA 1.494 1.731 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' PRO . . . . . 0.412 ' CD ' ' H ' ' B' ' 80' ' ' LYS . 17.5 Cg_endo -102.28 -44.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 123.676 2.917 . . . . 0.0 114.349 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' LYS . . . . . 0.412 ' H ' ' CD ' ' B' ' 79' ' ' PRO . 55.8 tttm -79.86 -47.82 14.5 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.231 -0.918 . . . . 0.0 112.982 -176.08 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' TRP . . . . . 0.45 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.2 p90 -82.93 -43.92 15.94 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.384 -1.448 . . . . 0.0 112.361 -177.335 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' ASN . . . . . 0.536 ' OD1' ' NH2' ' A' ' 41' ' ' ARG . 38.2 t30 -68.91 -40.06 79.31 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.391 -1.443 . . . . 0.0 110.752 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -59.99 -49.96 75.64 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.965 -1.084 . . . . 0.0 109.978 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -60.47 -42.04 95.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.851 -1.156 . . . . 0.0 109.831 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 77.6 p -69.87 -40.07 75.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.134 -0.979 . . . . 0.0 109.51 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -67.38 -40.04 85.69 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.139 -0.975 . . . . 0.0 109.779 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.04 -41.21 91.8 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.883 -1.136 . . . . 0.0 108.784 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -60.01 -43.6 95.14 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.818 -1.176 . . . . 0.0 108.167 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 89' ' ' TRP . . . . . 0.554 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 66.5 t90 -59.97 -50.05 75.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.531 -0.73 . . . . 0.0 109.69 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -66.54 -40.64 89.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.36 -0.837 . . . . 0.0 109.375 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 91' ' ' ARG . . . . . 0.462 ' HG2' HH11 ' B' ' 91' ' ' ARG . 32.9 mtt-85 -65.18 -40.03 93.7 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.309 -0.869 . . . . 0.0 109.92 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -60.16 -43.29 95.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.98 -1.075 . . . . 0.0 108.838 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.12 -40.8 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.356 -0.84 . . . . 0.0 109.509 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -59.98 -45.35 92.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.215 -0.928 . . . . 0.0 110.278 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -64.5 -40.37 95.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.939 -1.101 . . . . 0.0 109.579 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.8 -40.46 91.9 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.172 -0.955 . . . . 0.0 109.375 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.71 -42.7 99.78 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.049 -1.032 . . . . 0.0 109.2 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.98 -47.91 83.86 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.236 -0.915 . . . . 0.0 109.346 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 99' ' ' ASN . . . . . 0.471 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 28.3 t-20 -59.99 -44.65 94.38 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.35 -0.844 . . . . 0.0 108.984 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.15 -46.8 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.284 -0.885 . . . . 0.0 109.729 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 43.3 p -59.94 -41.97 93.0 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.944 -1.097 . . . . 0.0 109.296 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.95 75.66 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.261 -0.899 . . . . 0.0 109.437 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.02 -43.47 95.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.337 -0.852 . . . . 0.0 109.484 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.19 -41.71 98.6 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.21 -0.931 . . . . 0.0 109.443 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.99 -46.81 88.25 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.055 -1.028 . . . . 0.0 109.119 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -62.76 -40.52 97.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.281 -0.887 . . . . 0.0 108.891 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.78 97.0 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.313 -0.867 . . . . 0.0 109.462 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -59.98 -48.35 82.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.057 -1.027 . . . . 0.0 108.862 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.28 -50.08 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.387 -0.821 . . . . 0.0 109.613 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -68.8 -40.05 79.8 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.244 -0.91 . . . . 0.0 109.663 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -60.59 -49.73 76.38 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.214 -0.929 . . . . 0.0 109.432 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.11 -39.94 90.35 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.342 -0.848 . . . . 0.0 109.238 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -63.89 -40.08 95.68 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.267 -0.895 . . . . 0.0 109.893 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -65.41 -44.26 88.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.944 -1.097 . . . . 0.0 109.557 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 52.1 ttm -69.07 -39.92 78.79 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.04 -50.0 75.46 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.72 -40.0 90.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.149 -0.969 . . . . 0.0 109.397 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.01 -41.73 92.8 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.439 -0.788 . . . . 0.0 109.482 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 119' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.3 mt-30 -61.72 -40.69 95.94 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.089 -1.007 . . . . 0.0 109.607 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -59.98 -39.94 87.4 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.41 -0.806 . . . . 0.0 109.46 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 90.5 mt -58.74 -46.42 87.47 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -125.6 61.04 1.24 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.515 -0.741 . . . . 0.0 109.47 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 123' ' ' SER . . . . . 0.464 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.3 p . . . . . 0 N--CA 1.497 1.875 0 O-C-N 121.04 -1.038 . . . . 0.0 109.137 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -69.02 143.45 54.33 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.332 -0.855 . . . . 0.0 109.031 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -90.02 61.17 5.15 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.215 -0.928 . . . . 0.0 108.934 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 4' ' ' ARG . . . . . 0.432 HH11 ' HG3' ' C' ' 4' ' ' ARG . 34.3 mtm-85 -62.83 -39.92 95.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.488 -0.757 . . . . 0.0 109.235 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 5' ' ' THR . . . . . 0.525 HG23 ' N ' ' C' ' 6' ' ' LEU . 8.2 t -60.02 -43.08 95.49 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.168 -0.958 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 6' ' ' LEU . . . . . 0.525 ' N ' HG23 ' C' ' 5' ' ' THR . 58.9 tp -62.42 -40.22 95.86 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.047 -1.033 . . . . 0.0 109.42 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.2 mt -64.8 -39.21 93.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.287 -0.883 . . . . 0.0 109.992 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.98 -1.075 . . . . 0.0 108.73 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.78 -47.41 61.25 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 108.672 -1.771 . . . . 0.0 108.672 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.04 -48.81 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.372 -1.075 . . . . 0.0 108.933 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 78.6 t -59.96 -43.27 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.309 -0.869 . . . . 0.0 108.945 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.59 -40.11 93.58 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.303 -0.873 . . . . 0.0 109.25 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.94 -41.95 92.95 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.204 -0.935 . . . . 0.0 109.524 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.26 -42.06 94.58 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.958 -1.089 . . . . 0.0 109.084 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.98 -47.11 87.18 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.337 -0.852 . . . . 0.0 109.247 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -59.95 -42.39 93.96 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.878 . . . . 0.0 109.72 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.29 -43.06 99.69 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.236 -0.915 . . . . 0.0 108.865 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.06 -44.66 94.56 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.473 -0.767 . . . . 0.0 109.182 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -59.94 -46.78 88.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.205 -0.934 . . . . 0.0 109.896 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.14 -40.02 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.019 -1.05 . . . . 0.0 109.49 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.01 -41.81 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.193 -0.942 . . . . 0.0 108.474 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.67 -41.13 94.46 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.605 -0.684 . . . . 0.0 109.436 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 23' ' ' ARG . . . . . 0.462 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 32.0 mmt180 -60.72 -41.06 94.52 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.244 -0.91 . . . . 0.0 109.695 -179.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.15 -39.86 87.86 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.127 -0.983 . . . . 0.0 109.228 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -60.07 -46.12 90.61 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.255 -0.903 . . . . 0.0 109.21 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.98 -39.96 94.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.007 -1.058 . . . . 0.0 109.446 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.4 tp -64.28 -40.08 95.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.313 -0.867 . . . . 0.0 109.184 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 20.7 mt -60.26 -40.04 88.93 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.419 -0.801 . . . . 0.0 109.464 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.05 -40.32 93.17 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.247 -0.908 . . . . 0.0 109.599 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 30' ' ' LEU . . . . . 0.565 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.8 mt -63.23 -40.37 97.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.18 -0.95 . . . . 0.0 109.723 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.9 p -62.89 -39.96 96.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.091 -1.005 . . . . 0.0 109.363 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -62.51 -39.97 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.261 -0.899 . . . . 0.0 109.218 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -60.02 -42.33 94.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.221 -0.924 . . . . 0.0 110.05 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.17 -48.68 84.94 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -50.04 75.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.163 -1.198 . . . . 0.0 110.025 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -61.26 -40.03 92.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.097 -1.002 . . . . 0.0 110.02 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -60.05 -40.82 90.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.133 -0.979 . . . . 0.0 109.156 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.69 -39.96 90.42 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.258 -0.901 . . . . 0.0 109.881 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -60.05 -40.48 89.56 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.025 -1.047 . . . . 0.0 109.784 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 58.6 p -59.96 -40.2 88.22 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.972 -1.08 . . . . 0.0 108.419 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 41' ' ' ARG . . . . . 0.52 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 36.8 mtt-85 -69.01 -39.97 78.96 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.51 -0.744 . . . . 0.0 109.006 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.05 -42.59 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.256 -0.903 . . . . 0.0 108.681 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 56.2 p -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.007 -1.058 . . . . 0.0 109.073 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.86 95.2 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.9 mt -60.04 -39.36 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.01 -39.95 87.57 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.144 -0.973 . . . . 0.0 109.396 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -64.42 -40.12 95.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.891 -1.131 . . . . 0.0 109.713 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 55.0 m-85 -66.25 -39.72 89.7 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.974 -1.079 . . . . 0.0 109.518 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 49' ' ' LEU . . . . . 0.727 HD23 HE22 ' C' ' 52' ' ' GLN . 82.2 mt -60.03 -39.98 87.75 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.153 -0.967 . . . . 0.0 108.639 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -59.98 -40.01 87.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.862 -1.149 . . . . 0.0 108.665 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 51' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' C' ' 51' ' ' ASP . 37.5 t0 -59.99 -39.06 84.43 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.291 -0.881 . . . . 0.0 109.012 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 52' ' ' GLN . . . . . 0.739 ' NE2' ' NE2' ' B' ' 52' ' ' GLN . 9.9 mt-30 -60.02 -39.99 87.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.965 -1.084 . . . . 0.0 109.101 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.01 -39.93 75.67 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -60.1 -39.7 87.07 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 90.0 mt -68.42 114.76 7.13 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.315 -0.866 . . . . 0.0 108.775 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -134.8 -65.55 0.63 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.418 -0.801 . . . . 0.0 110.685 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 57' ' ' ALA . . . . . 0.78 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -153.93 116.31 4.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.283 -0.886 . . . . 0.0 109.763 -178.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 58' ' ' TRP . . . . . 0.762 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 82.8 m95 -99.99 125.16 45.99 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.381 -0.824 . . . . 0.0 110.068 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 59' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 65.21 27.53 72.49 Favored Glycine 0 N--CA 1.489 2.207 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.668 178.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 60' ' ' ALA . . . . . 0.48 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -75.93 22.72 0.14 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.683 -1.48 . . . . 0.0 108.925 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 61' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.66 115.77 2.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.087 -1.008 . . . . 0.0 109.61 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 62' ' ' PHE . . . . . 0.452 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 32.6 m-85 -118.07 12.21 13.56 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 121.33 -0.857 . . . . 0.0 110.731 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 63' ' ' ARG . . . . . 0.422 ' HG3' HH11 ' C' ' 63' ' ' ARG . 2.5 ptm180 -137.61 24.67 2.89 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 177.605 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 64' ' ' GLN . . . . . 0.46 ' NE2' ' CG ' ' B' ' 62' ' ' PHE . 30.0 mt-30 -143.71 152.55 41.43 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -102.4 56.1 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.11 157.88 43.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.414 -0.804 . . . . 0.0 110.158 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -129.96 134.92 47.77 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 68' ' ' THR . . . . . 0.571 HG23 ' O ' ' C' ' 68' ' ' THR . 7.4 t -89.43 113.42 24.76 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.512 -1.367 . . . . 0.0 109.581 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.44 122.71 48.49 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 78.0 t -129.78 84.01 62.4 Favored Pre-proline 0 N--CA 1.494 1.76 0 O-C-N 121.544 -0.723 . . . . 0.0 109.577 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -85.77 63.12 5.47 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.783 2.322 . . . . 0.0 111.399 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -69.94 130.75 89.66 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.531 -0.731 . . . . 0.0 109.042 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -39.55 147.78 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.181 0 C-N-CA 121.386 1.391 . . . . 0.0 111.054 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 74' ' ' ASN . . . . . 0.536 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 65.0 t30 -132.18 -35.65 1.19 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.448 -0.783 . . . . 0.0 109.39 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.8 126.91 42.29 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 1.1 t -80.94 109.99 16.05 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 45.6 mt -77.61 138.48 39.15 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.564 0.697 . . . . 0.0 109.402 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 78' ' ' THR . . . . . 0.72 HG23 ' O ' ' C' ' 78' ' ' THR . 10.0 t -139.0 85.63 15.81 Favored Pre-proline 0 N--CA 1.492 1.667 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 79' ' ' PRO . . . . . 0.415 ' CD ' ' H ' ' C' ' 80' ' ' LYS . 17.8 Cg_endo -102.19 -44.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 123.597 2.865 . . . . 0.0 114.328 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 80' ' ' LYS . . . . . 0.415 ' H ' ' CD ' ' C' ' 79' ' ' PRO . 55.5 tttm -79.46 -48.06 14.58 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.181 -0.949 . . . . 0.0 113.066 -176.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 81' ' ' TRP . . . . . 0.523 ' CE2' ' OG1' ' C' ' 78' ' ' THR . 4.2 p90 -82.66 -43.64 16.69 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.441 -1.412 . . . . 0.0 112.476 -177.299 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 82' ' ' ASN . . . . . 0.539 ' OD1' ' NH2' ' B' ' 41' ' ' ARG . 37.7 t30 -69.2 -40.06 78.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.336 -1.478 . . . . 0.0 110.786 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -60.0 -49.97 75.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.922 -1.111 . . . . 0.0 109.88 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -60.53 -42.15 95.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.884 -1.135 . . . . 0.0 109.806 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 77.4 p -69.85 -39.91 76.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.154 -0.966 . . . . 0.0 109.512 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -67.46 -40.05 85.33 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.184 -0.948 . . . . 0.0 109.774 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.03 -41.27 91.88 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.8 -1.187 . . . . 0.0 108.763 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -60.0 -43.62 95.08 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.865 -1.147 . . . . 0.0 108.104 178.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 89' ' ' TRP . . . . . 0.591 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 66.0 t90 -60.03 -50.08 75.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.46 -0.775 . . . . 0.0 109.578 179.124 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.35 -40.62 89.94 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.392 -0.817 . . . . 0.0 109.485 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 91' ' ' ARG . . . . . 0.453 HH11 ' HG2' ' C' ' 91' ' ' ARG . 32.8 mtt-85 -65.33 -39.93 93.06 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.2 -0.938 . . . . 0.0 109.93 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -60.28 -42.88 96.37 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.95 -1.094 . . . . 0.0 108.798 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.36 -41.02 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.401 -0.812 . . . . 0.0 109.421 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -59.9 -45.12 93.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.0 110.429 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -64.55 -40.09 94.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.909 -1.119 . . . . 0.0 109.657 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.42 -40.4 89.52 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.186 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.64 -42.81 99.81 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.109 -0.994 . . . . 0.0 109.104 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.93 -47.7 84.72 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.37 -0.831 . . . . 0.0 109.455 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 99' ' ' ASN . . . . . 0.492 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.8 t-20 -60.05 -44.47 94.67 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.318 -0.864 . . . . 0.0 109.051 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.26 -46.68 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.275 -0.891 . . . . 0.0 109.721 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 43.8 p -59.99 -42.01 93.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.024 -1.048 . . . . 0.0 109.18 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.99 75.48 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.282 -0.887 . . . . 0.0 109.522 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.05 -43.22 95.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.286 -0.884 . . . . 0.0 109.614 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.35 -41.8 98.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 0.0 109.301 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.08 -46.47 89.47 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.185 -0.947 . . . . 0.0 108.908 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -63.02 -40.08 96.67 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.282 -0.886 . . . . 0.0 109.041 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.45 98.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.404 -0.81 . . . . 0.0 109.43 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -60.09 -48.51 81.41 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.079 -1.013 . . . . 0.0 108.847 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.25 -49.98 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 121.35 -0.844 . . . . 0.0 109.726 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -68.8 -40.21 79.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.142 -0.974 . . . . 0.0 109.512 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -60.45 -49.98 75.42 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.322 -0.861 . . . . 0.0 109.474 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -65.84 -40.03 91.37 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.287 -0.883 . . . . 0.0 109.277 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -63.9 -40.16 95.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.349 -0.844 . . . . 0.0 109.977 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.45 -44.12 88.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.026 -1.046 . . . . 0.0 109.443 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 52.4 ttm -69.05 -40.0 78.82 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -60.02 -49.99 75.5 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.483 -0.761 . . . . 0.0 109.175 179.082 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.7 -40.11 91.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.189 -0.944 . . . . 0.0 109.257 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.04 -41.67 92.76 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.292 -0.88 . . . . 0.0 109.398 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 119' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.4 mt-30 -61.72 -40.78 96.26 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.065 -1.022 . . . . 0.0 109.612 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -59.97 -39.5 85.88 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.437 -0.789 . . . . 0.0 109.763 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 90.3 mt -58.96 -46.45 88.03 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -125.94 61.14 1.26 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.61 -0.682 . . . . 0.0 109.408 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 123' ' ' SER . . . . . 0.462 ' N ' ' O ' ' C' ' 119' ' ' GLN . 2.3 p . . . . . 0 N--CA 1.495 1.798 0 O-C-N 120.998 -1.064 . . . . 0.0 109.098 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -68.88 145.08 54.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.872 -1.142 . . . . 0.0 108.702 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -88.82 62.15 6.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.075 -1.015 . . . . 0.0 109.32 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -64.46 -40.17 95.2 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.351 -0.843 . . . . 0.0 109.028 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 6' ' ' LEU . 2.4 t -59.96 -44.94 94.11 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.237 -0.914 . . . . 0.0 109.592 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.448 ' N ' HG23 ' A' ' 5' ' ' THR . 59.2 tp -60.21 -42.16 94.55 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.7 mt -62.55 -40.04 95.57 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.551 -0.718 . . . . 0.0 109.358 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.61 91.96 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.77 -46.1 94.35 Favored Glycine 0 N--CA 1.487 2.089 0 N-CA-C 108.807 -1.717 . . . . 0.0 108.807 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.14 -48.41 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.361 -1.082 . . . . 0.0 109.663 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.24 -42.95 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.032 -1.043 . . . . 0.0 109.322 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 -60.98 -39.89 91.36 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.427 -0.795 . . . . 0.0 109.686 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.96 -41.72 92.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 109.374 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -61.99 -40.01 94.15 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.017 -1.052 . . . . 0.0 109.397 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.3 -45.66 92.6 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.308 -0.87 . . . . 0.0 109.314 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -61.99 -43.5 98.71 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.897 . . . . 0.0 109.611 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.57 -43.17 97.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.101 -1.0 . . . . 0.0 109.72 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.19 -43.23 96.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.121 -0.987 . . . . 0.0 109.289 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -59.98 -47.59 85.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.092 -1.005 . . . . 0.0 109.449 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.2 t -60.62 -40.09 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.306 -0.871 . . . . 0.0 109.965 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.53 -42.98 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.223 -0.923 . . . . 0.0 108.618 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.32 -40.17 96.58 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.446 -0.784 . . . . 0.0 109.01 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.531 HH11 HD23 ' B' ' 96' ' ' LEU . 30.5 mmt180 -60.8 -40.5 92.91 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.259 -0.901 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.67 -39.97 90.37 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.184 -0.948 . . . . 0.0 109.133 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -59.99 -50.05 75.26 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.38 -0.825 . . . . 0.0 109.622 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.38 -44.31 95.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.883 -1.135 . . . . 0.0 109.357 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.6 tp -60.24 -41.32 92.9 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.84 -40.37 92.6 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.445 -0.784 . . . . 0.0 109.006 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.461 HH12 ' CD ' ' A' ' 97' ' ' GLU . 50.8 mtt-85 -62.14 -41.79 98.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.233 -0.917 . . . . 0.0 109.138 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.537 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 94.2 mt -61.89 -41.48 97.94 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.134 -0.979 . . . . 0.0 109.591 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.5 p -62.72 -40.05 95.97 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.179 -0.951 . . . . 0.0 110.002 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.43 -41.52 87.76 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.165 -0.96 . . . . 0.0 109.241 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -60.04 -41.55 92.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.091 -1.005 . . . . 0.0 110.36 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.06 -50.14 70.97 Favored Glycine 0 N--CA 1.483 1.79 0 C-N-CA 119.25 -1.452 . . . . 0.0 110.262 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -60.27 -50.11 74.92 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.036 -1.273 . . . . 0.0 110.719 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.51 -40.0 89.8 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.126 -0.984 . . . . 0.0 109.97 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.502 HD21 HH21 ' A' ' 41' ' ' ARG . 44.4 t-20 -60.01 -40.54 89.61 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.954 -1.092 . . . . 0.0 109.745 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.26 -40.59 90.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.067 -1.02 . . . . 0.0 109.905 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -60.04 -41.12 91.59 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.867 -1.146 . . . . 0.0 110.081 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.2 p -60.14 -42.18 94.28 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.935 -1.103 . . . . 0.0 108.695 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.506 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 41.7 mtt-85 -65.07 -39.87 93.85 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.95 -42.31 89.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.262 -0.899 . . . . 0.0 109.041 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.4 p -59.77 -40.35 87.91 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.759 -1.213 . . . . 0.0 109.825 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.03 96.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.086 -1.009 . . . . 0.0 108.935 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.06 -39.45 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.412 -0.805 . . . . 0.0 109.326 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.88 -40.35 88.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.033 -1.042 . . . . 0.0 109.898 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -64.14 -40.29 95.85 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.096 -1.003 . . . . 0.0 109.994 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 61.8 m-85 -67.46 -38.79 84.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.776 -1.203 . . . . 0.0 110.1 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.84 -39.89 86.7 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.735 -1.228 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -60.46 -39.61 88.2 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.888 -1.133 . . . . 0.0 108.765 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -60.03 -40.0 87.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.435 -0.791 . . . . 0.0 109.019 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 48' ' ' TYR . 0.9 OUTLIER -59.78 -39.65 85.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.077 -1.015 . . . . 0.0 109.436 179.595 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.75 -35.23 74.18 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.958 -1.089 . . . . 0.0 108.678 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.94 -39.69 86.4 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.157 -0.965 . . . . 0.0 109.002 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.8 mt -71.35 113.34 8.28 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.855 -1.153 . . . . 0.0 108.903 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -134.53 -70.77 0.5 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.248 -0.907 . . . . 0.0 109.821 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.88 100.9 3.13 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.381 -0.824 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.45 ' C ' ' H ' ' A' ' 60' ' ' ALA . 71.8 m95 -115.95 150.44 37.14 Favored 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 121.447 0.641 . . . . 0.0 110.442 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 55.06 7.46 1.12 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.45 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -76.24 23.89 0.14 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.184 -1.186 . . . . 0.0 109.273 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.447 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.97 113.87 3.06 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.111 -0.993 . . . . 0.0 109.871 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -106.82 13.09 28.27 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.406 -0.809 . . . . 0.0 110.175 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.689 HH21 HH21 ' B' ' 63' ' ' ARG . 42.6 mtt-85 -121.96 23.21 10.1 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 177.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 30.0 mp0 -149.7 151.65 34.04 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.0 t -107.36 60.04 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.077 -1.014 . . . . 0.0 109.057 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.37 157.99 42.06 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.475 -0.765 . . . . 0.0 109.854 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -126.26 132.78 51.62 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.417 ' O ' HG23 ' A' ' 68' ' ' THR . 4.7 t -97.82 119.56 36.63 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-O 121.94 0.876 . . . . 0.0 110.499 -178.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 69' ' ' THR . 15.0 t -115.36 121.19 42.06 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.6 t -124.98 86.34 56.72 Favored Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 121.478 -0.764 . . . . 0.0 109.58 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -83.92 66.35 7.14 Favored 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 122.669 2.246 . . . . 0.0 111.91 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' PRO . 22.7 t90 -69.57 132.64 89.17 Favored Pre-proline 0 N--CA 1.488 1.471 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.416 ' C ' ' O ' ' A' ' 72' ' ' TRP . 80.1 Cg_exo -40.01 148.69 0.15 Allowed 'Trans proline' 0 C--N 1.316 -1.156 0 C-N-CA 121.22 1.28 . . . . 0.0 111.147 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.554 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 8.4 t-20 -130.3 -53.65 1.1 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.21 124.07 33.48 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.0 m -80.46 110.06 15.55 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.008 -1.077 . . . . 0.0 108.173 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.8 mt -79.69 136.82 36.89 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.62 0.724 . . . . 0.0 109.75 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 78' ' ' THR . 5.7 t -89.64 114.5 60.82 Favored Pre-proline 0 C--N 1.298 -1.641 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -90.54 -47.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 1.023 0 C-N-CA 121.738 1.626 . . . . 0.0 113.664 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -122.1 -43.87 2.31 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -177.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.609 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.8 p90 -60.21 -47.44 85.93 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.306 -1.496 . . . . 0.0 112.749 -175.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.609 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.9 t30 -73.85 -46.99 41.54 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 119.893 -1.754 . . . . 0.0 110.697 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -60.18 -50.07 75.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.061 -1.024 . . . . 0.0 110.4 -177.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.6 -43.43 98.84 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.613 -1.305 . . . . 0.0 109.553 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 81' ' ' TRP . 69.3 p -69.71 -39.96 76.56 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.252 -0.905 . . . . 0.0 109.713 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -68.96 -40.02 79.12 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 120.879 -1.138 . . . . 0.0 109.475 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.13 -41.76 93.35 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.628 -1.295 . . . . 0.0 108.771 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.31 -41.18 96.57 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.038 -1.039 . . . . 0.0 108.566 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.534 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 71.6 t90 -60.12 -50.04 75.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.479 -0.763 . . . . 0.0 109.154 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.63 -42.47 98.93 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.225 -0.922 . . . . 0.0 109.819 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -61.96 -41.69 98.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.105 -0.997 . . . . 0.0 110.549 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -60.39 -41.07 93.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.847 -1.158 . . . . 0.0 109.268 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.45 -40.22 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 O-C-N 121.437 -0.789 . . . . 0.0 109.447 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.37 -40.65 97.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.278 -0.889 . . . . 0.0 110.871 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -69.86 -40.18 75.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.869 -1.144 . . . . 0.0 109.569 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.541 HD23 HH11 ' C' ' 23' ' ' ARG . 96.1 mt -68.24 -40.02 82.11 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.928 -1.108 . . . . 0.0 108.843 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.461 ' CD ' HH12 ' A' ' 29' ' ' ARG . 88.5 tt0 -60.65 -45.49 93.89 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.145 -0.972 . . . . 0.0 109.835 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.63 -40.03 95.85 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.132 -0.98 . . . . 0.0 109.562 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -64.46 -40.03 94.93 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.406 -0.809 . . . . 0.0 110.263 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.2 mt -66.02 -40.2 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.99 -1.069 . . . . 0.0 109.47 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.4 p -63.34 -42.05 98.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.048 -1.032 . . . . 0.0 109.647 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.5 84.69 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.089 -1.007 . . . . 0.0 109.348 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.45 -46.17 91.03 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.444 -0.785 . . . . 0.0 109.471 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.85 -41.3 97.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.045 -1.035 . . . . 0.0 109.818 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.1 -46.39 89.77 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.222 -0.923 . . . . 0.0 108.96 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.86 -42.37 99.73 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.351 -0.843 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.04 97.69 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.261 -0.899 . . . . 0.0 109.997 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.49 -43.09 97.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.25 -0.906 . . . . 0.0 109.988 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.23 -41.78 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.138 -0.976 . . . . 0.0 109.489 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -69.85 -40.17 75.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.033 -1.042 . . . . 0.0 109.558 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.03 -49.7 76.65 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.125 -0.984 . . . . 0.0 109.236 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.95 -42.45 99.12 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.247 -0.908 . . . . 0.0 109.35 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -62.26 -40.19 95.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.328 -0.858 . . . . 0.0 110.135 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -65.59 -41.62 92.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.878 -1.139 . . . . 0.0 109.256 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 60.5 ttm -70.03 -40.05 75.41 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.281 -0.887 . . . . 0.0 109.022 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.94 -45.99 90.85 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.208 -0.933 . . . . 0.0 108.758 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.79 -40.04 93.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.0 109.103 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.01 -40.35 88.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.319 -0.863 . . . . 0.0 109.106 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.8 mt-30 -61.65 -40.26 94.27 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.384 -0.823 . . . . 0.0 109.785 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -59.95 -39.98 87.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.296 -0.877 . . . . 0.0 109.377 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.2 mt -59.22 -47.31 85.83 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -130.03 62.41 1.56 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.456 -0.777 . . . . 0.0 109.708 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.053 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -68.99 144.89 54.0 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.035 -1.041 . . . . 0.0 108.615 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -88.6 61.89 6.27 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.12 -0.987 . . . . 0.0 109.462 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -64.26 -40.02 95.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.203 -0.936 . . . . 0.0 109.058 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.443 HG23 ' N ' ' B' ' 6' ' ' LEU . 2.4 t -60.11 -45.4 93.12 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.28 -0.888 . . . . 0.0 109.341 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.443 ' N ' HG23 ' B' ' 5' ' ' THR . 58.8 tp -59.96 -41.89 92.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.102 -0.998 . . . . 0.0 108.405 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.08 -39.84 95.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.55 -0.719 . . . . 0.0 109.242 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.33 93.13 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.104 -0.998 . . . . 0.0 108.447 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.56 -46.25 94.16 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.818 -1.713 . . . . 0.0 108.818 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.1 -48.61 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.27 -1.135 . . . . 0.0 109.631 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 69.8 t -60.12 -42.91 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.147 -0.97 . . . . 0.0 109.241 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -61.12 -39.85 91.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.366 -0.834 . . . . 0.0 109.792 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.98 -42.18 93.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.36 -0.838 . . . . 0.0 109.21 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -61.46 -40.04 93.06 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.15 -0.969 . . . . 0.0 109.509 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.4 -45.94 91.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.856 . . . . 0.0 109.354 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -61.37 -44.16 97.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.229 -0.919 . . . . 0.0 109.499 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.31 -43.28 96.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.143 -0.973 . . . . 0.0 109.694 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.5 tp -59.96 -43.41 95.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.114 -0.991 . . . . 0.0 109.234 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -60.15 -47.27 86.63 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.143 -0.973 . . . . 0.0 109.397 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 88.7 t -60.66 -40.6 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.22 -0.925 . . . . 0.0 109.786 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.13 -43.25 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.271 -0.893 . . . . 0.0 108.598 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -62.93 -40.32 97.27 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.475 HH11 HD23 ' C' ' 96' ' ' LEU . 30.4 mmt180 -60.73 -40.55 92.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.47 -0.769 . . . . 0.0 109.111 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.89 -39.96 91.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.191 -0.943 . . . . 0.0 109.243 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -59.95 -49.99 75.53 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.17 -0.956 . . . . 0.0 109.586 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -60.26 -44.74 95.03 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.091 -1.006 . . . . 0.0 108.985 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 43.4 tp -60.0 -41.41 92.02 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.195 -0.941 . . . . 0.0 108.584 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.5 mt -60.45 -40.41 91.06 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.333 -0.854 . . . . 0.0 109.163 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.465 HH12 ' CD ' ' B' ' 97' ' ' GLU . 49.8 mtt-85 -62.21 -41.52 98.45 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.24 -0.912 . . . . 0.0 109.152 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.492 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.6 mt -62.26 -41.18 98.22 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.896 -1.128 . . . . 0.0 109.614 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 64.3 p -62.83 -40.13 96.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.263 -0.898 . . . . 0.0 110.104 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.11 -41.45 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.381 -0.824 . . . . 0.0 109.612 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -60.13 -41.91 93.69 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.312 -0.868 . . . . 0.0 110.372 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -50.3 69.23 Favored Glycine 0 N--CA 1.487 2.084 0 C-N-CA 119.486 -1.34 . . . . 0.0 110.079 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.06 -50.06 75.2 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.095 -1.238 . . . . 0.0 110.729 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -60.71 -40.25 91.57 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.215 -0.928 . . . . 0.0 109.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.495 HD21 HH21 ' B' ' 41' ' ' ARG . 44.6 t-20 -59.94 -40.45 88.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.138 -0.976 . . . . 0.0 109.521 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.55 -40.21 90.76 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.982 . . . . 0.0 110.163 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -60.23 -40.76 91.35 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.853 -1.154 . . . . 0.0 110.045 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.404 ' O ' ' OG1' ' B' ' 43' ' ' THR . 59.5 p -60.17 -42.12 94.29 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.249 -0.98 . . . . 0.0 108.704 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.495 HH21 HD21 ' B' ' 37' ' ' ASN . 42.0 mtt-85 -65.57 -40.03 92.34 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.297 -0.877 . . . . 0.0 108.873 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.1 -41.42 86.42 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.25 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' B' ' 40' ' ' THR . 39.5 p -60.54 -40.02 90.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.955 -1.091 . . . . 0.0 109.592 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.03 97.51 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.027 -1.046 . . . . 0.0 108.896 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.15 -39.76 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.459 -0.776 . . . . 0.0 109.28 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.65 -40.02 86.29 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.208 -0.933 . . . . 0.0 109.8 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -64.4 -40.07 95.09 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.034 -1.041 . . . . 0.0 110.233 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 61.1 m-85 -67.62 -38.53 84.04 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.089 -1.007 . . . . 0.0 109.856 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.1 -39.91 87.82 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.746 -1.221 . . . . 0.0 109.365 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.2 -39.97 88.43 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.968 -1.083 . . . . 0.0 108.737 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -59.9 -39.77 86.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.25 -0.906 . . . . 0.0 109.118 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' B' ' 48' ' ' TYR . 0.9 OUTLIER -60.03 -39.85 87.32 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.069 -1.019 . . . . 0.0 109.288 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.14 -35.28 73.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.001 -1.062 . . . . 0.0 108.823 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -59.85 -39.59 85.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.144 -0.972 . . . . 0.0 108.915 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.6 mt -71.65 113.52 8.77 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.918 -1.114 . . . . 0.0 108.861 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 35.2 m120 -134.56 -70.6 0.5 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.401 -0.812 . . . . 0.0 109.841 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.91 100.72 3.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.338 -0.851 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.445 ' C ' ' H ' ' B' ' 60' ' ' ALA . 72.9 m95 -115.53 150.45 36.56 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.581 -0.7 . . . . 0.0 110.277 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 55.42 6.74 1.09 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.457 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -75.88 24.23 0.13 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.111 -1.229 . . . . 0.0 109.359 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.465 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.08 113.83 3.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.848 . . . . 0.0 110.018 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -106.97 13.25 27.81 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.338 -0.851 . . . . 0.0 110.334 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.771 HH21 HH21 ' C' ' 63' ' ' ARG . 41.7 mtt-85 -121.92 23.3 10.08 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 177.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 30.0 mp0 -149.8 151.65 33.9 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.6 t -107.52 59.73 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.12 -0.988 . . . . 0.0 109.015 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.45 158.1 43.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.479 -0.763 . . . . 0.0 109.805 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -126.44 132.68 51.42 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.416 HG23 ' O ' ' B' ' 68' ' ' THR . 4.8 t -97.84 119.42 36.41 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 121.787 0.803 . . . . 0.0 110.406 -178.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.577 HG23 ' O ' ' B' ' 69' ' ' THR . 14.9 t -115.39 120.57 40.01 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.412 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 92.1 t -124.38 86.66 54.7 Favored Pre-proline 0 N--CA 1.498 1.962 0 O-C-N 121.337 -0.852 . . . . 0.0 109.588 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -84.12 66.46 6.98 Favored 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.077 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' B' ' 73' ' ' PRO . 22.0 t90 -69.54 132.92 89.09 Favored Pre-proline 0 N--CA 1.489 1.494 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.401 ' C ' ' O ' ' B' ' 72' ' ' TRP . 82.1 Cg_exo -40.3 148.66 0.17 Allowed 'Trans proline' 0 C--N 1.317 -1.116 0 C-N-CA 121.179 1.253 . . . . 0.0 111.082 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.544 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 8.5 t-20 -130.29 -53.78 1.1 Allowed 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.08 124.14 33.47 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 9.5 m -80.49 109.99 15.52 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.801 -1.187 . . . . 0.0 108.066 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.7 mt -79.2 136.92 37.23 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.617 0.722 . . . . 0.0 109.658 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.54 HG23 ' O ' ' B' ' 78' ' ' THR . 5.8 t -89.69 115.3 63.51 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -91.34 -47.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.033 0 C-N-CA 121.736 1.624 . . . . 0.0 113.699 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.88 -44.33 2.31 Favored 'General case' 0 N--CA 1.507 2.416 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.607 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -60.11 -47.02 87.63 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.261 -1.524 . . . . 0.0 112.88 -175.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.607 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 65.0 t30 -74.25 -47.05 37.61 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 119.999 -1.688 . . . . 0.0 110.631 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -59.9 -50.14 74.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.078 -1.014 . . . . 0.0 110.58 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -62.87 -43.27 99.23 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.779 -1.2 . . . . 0.0 109.378 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.516 HG23 ' O ' ' B' ' 81' ' ' TRP . 68.4 p -69.72 -40.11 76.43 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.211 -0.931 . . . . 0.0 109.764 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -68.68 -40.02 80.3 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.882 -1.136 . . . . 0.0 109.504 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.14 -41.25 92.32 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 118.625 -1.23 . . . . 0.0 108.845 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.64 -41.52 97.62 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.062 -1.024 . . . . 0.0 108.583 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.537 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 70.4 t90 -60.13 -49.86 75.99 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.52 -0.738 . . . . 0.0 109.089 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -61.52 -42.99 99.63 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.345 -0.847 . . . . 0.0 109.941 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -61.16 -42.26 98.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.173 -0.954 . . . . 0.0 110.472 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -60.34 -41.05 92.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.959 -1.088 . . . . 0.0 109.279 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.0 t -63.39 -40.26 88.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.537 -0.727 . . . . 0.0 109.457 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -62.33 -40.85 97.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.141 -0.974 . . . . 0.0 110.649 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -69.62 -39.82 76.95 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.724 -1.235 . . . . 0.0 109.73 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 96' ' ' LEU . . . . . 0.531 HD23 HH11 ' A' ' 23' ' ' ARG . 96.2 mt -68.2 -40.48 82.16 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.078 -1.014 . . . . 0.0 108.736 179.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 97' ' ' GLU . . . . . 0.465 ' CD ' HH12 ' B' ' 29' ' ' ARG . 88.7 tt0 -60.69 -46.02 91.98 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.25 -0.906 . . . . 0.0 109.573 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.31 -40.02 96.19 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.936 -1.103 . . . . 0.0 109.397 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -64.49 -40.21 95.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.307 -0.87 . . . . 0.0 110.408 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.9 mt -66.05 -40.27 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.122 -0.986 . . . . 0.0 109.483 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 42.0 p -62.86 -42.87 99.92 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.935 -1.103 . . . . 0.0 109.688 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.3 84.16 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.078 -1.014 . . . . 0.0 109.335 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.51 -45.74 92.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.332 -0.855 . . . . 0.0 109.49 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.97 -41.34 97.9 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.016 -1.052 . . . . 0.0 109.753 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.13 -46.16 90.58 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.199 -0.938 . . . . 0.0 108.924 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.87 -42.33 99.72 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.291 -0.881 . . . . 0.0 109.38 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.76 -43.07 98.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.897 . . . . 0.0 109.859 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.29 -43.13 96.54 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.154 -0.966 . . . . 0.0 109.983 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.69 -41.53 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.396 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -69.97 -40.32 75.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.125 -0.985 . . . . 0.0 109.436 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -59.83 -50.02 75.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.255 -0.903 . . . . 0.0 109.603 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.63 -42.89 99.53 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.341 -0.849 . . . . 0.0 109.163 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -62.05 -40.49 95.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.305 -0.872 . . . . 0.0 110.189 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -65.24 -41.8 93.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.741 -1.225 . . . . 0.0 109.387 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 60.4 ttm -69.76 -40.1 76.31 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.366 -0.834 . . . . 0.0 108.817 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.97 -45.87 91.28 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.236 -0.915 . . . . 0.0 108.745 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.66 -40.13 93.84 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.353 -0.842 . . . . 0.0 109.222 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.97 -40.7 89.95 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.454 -0.779 . . . . 0.0 109.039 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' B' ' 123' ' ' SER . 98.1 mt-30 -61.38 -40.3 93.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 110.068 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -60.12 -39.72 87.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.292 -0.88 . . . . 0.0 109.318 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.5 -47.09 86.87 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -130.08 62.12 1.57 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.514 -0.741 . . . . 0.0 109.716 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.515 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.135 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -68.9 145.06 53.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.133 -0.98 . . . . 0.0 108.411 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -88.99 61.92 6.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.146 -0.971 . . . . 0.0 109.223 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.408 ' HG3' HH11 ' C' ' 4' ' ' ARG . 42.0 mtm-85 -64.24 -40.14 95.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.229 -0.919 . . . . 0.0 108.96 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.444 HG23 ' N ' ' C' ' 6' ' ' LEU . 2.3 t -60.07 -45.03 94.25 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.271 -0.893 . . . . 0.0 109.543 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.444 ' N ' HG23 ' C' ' 5' ' ' THR . 59.9 tp -60.19 -41.83 93.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.116 -0.99 . . . . 0.0 108.423 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 20.8 mt -63.01 -40.08 96.71 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.5 92.53 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.544 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.29 -46.5 93.78 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.01 -48.75 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.203 -1.175 . . . . 0.0 109.696 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.07 -42.65 90.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.008 -1.057 . . . . 0.0 109.233 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 27.0 mm100 -61.51 -39.64 91.73 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.225 -0.922 . . . . 0.0 109.506 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.85 -42.4 93.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.061 -1.025 . . . . 0.0 109.328 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -61.42 -40.08 93.12 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.125 -0.984 . . . . 0.0 109.262 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.22 -46.15 90.75 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.0 109.351 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -61.6 -43.39 98.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.151 -0.968 . . . . 0.0 109.589 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.66 -43.64 97.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.436 -0.79 . . . . 0.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.03 -43.23 95.44 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.093 -1.004 . . . . 0.0 109.362 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -60.0 -47.46 85.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.976 -1.077 . . . . 0.0 109.481 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 94.6 t -60.49 -40.18 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.244 -0.91 . . . . 0.0 109.98 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.24 -43.14 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.121 -0.987 . . . . 0.0 108.611 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -63.08 -40.24 97.06 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.43 -0.794 . . . . 0.0 109.144 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.541 HH11 HD23 ' A' ' 96' ' ' LEU . 30.4 mmt180 -60.67 -40.8 93.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.389 -0.82 . . . . 0.0 109.191 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.92 -40.0 91.53 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.153 -0.967 . . . . 0.0 109.391 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -60.02 -49.51 77.39 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.171 -0.956 . . . . 0.0 109.585 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.68 -44.27 96.7 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.901 -1.124 . . . . 0.0 109.174 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.19 -41.38 92.83 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 mt -61.02 -40.23 92.79 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.271 -0.893 . . . . 0.0 108.975 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' ARG . . . . . 0.465 HH12 ' CD ' ' C' ' 97' ' ' GLU . 50.8 mtt-85 -62.17 -41.68 98.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.175 -0.953 . . . . 0.0 109.331 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.534 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 93.6 mt -62.1 -41.54 98.31 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.067 -1.02 . . . . 0.0 109.641 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 62.9 p -62.64 -40.24 96.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.071 -1.018 . . . . 0.0 109.854 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.14 -41.72 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.248 -0.907 . . . . 0.0 109.546 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -59.81 -41.77 92.01 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.125 -0.984 . . . . 0.0 110.373 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.82 -50.54 66.54 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.41 -1.376 . . . . 0.0 110.281 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.2 -50.01 75.38 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.04 -1.27 . . . . 0.0 110.759 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.74 -40.09 91.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.991 -1.068 . . . . 0.0 109.989 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.499 HD21 HH21 ' C' ' 41' ' ' ARG . 44.0 t-20 -60.06 -40.29 88.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.05 -1.031 . . . . 0.0 109.428 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.51 -40.18 90.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.884 -1.135 . . . . 0.0 110.017 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.45 -40.57 91.64 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.97 -1.081 . . . . 0.0 110.145 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 69.6 p -60.34 -42.03 94.83 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.011 -1.056 . . . . 0.0 108.617 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.523 ' NH2' ' CG ' ' A' ' 82' ' ' ASN . 41.5 mtt-85 -65.64 -40.02 92.08 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.23 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.01 -41.67 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.159 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 40.0 p -60.03 -40.38 89.15 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.807 -1.183 . . . . 0.0 109.794 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.58 -42.81 97.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.994 -1.066 . . . . 0.0 108.951 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.99 -39.86 81.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.365 -0.835 . . . . 0.0 109.273 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.45 -40.17 85.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.146 -0.971 . . . . 0.0 110.067 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -64.01 -40.26 95.95 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.982 -1.074 . . . . 0.0 109.998 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 62.1 m-85 -67.75 -38.57 83.67 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.893 -1.13 . . . . 0.0 109.889 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 83.1 mt -59.87 -40.1 87.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.663 -1.273 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -60.09 -39.83 87.45 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.934 -1.104 . . . . 0.0 108.685 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -60.04 -39.87 87.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.24 -0.913 . . . . 0.0 109.078 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' C' ' 48' ' ' TYR . 0.9 OUTLIER -59.84 -39.86 86.56 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.868 -1.145 . . . . 0.0 109.275 179.619 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 53' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -59.28 -35.5 73.84 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.859 -1.151 . . . . 0.0 108.739 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.99 -39.65 86.47 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.228 -0.92 . . . . 0.0 108.837 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 70.0 mt -71.4 113.32 8.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.876 -1.14 . . . . 0.0 108.984 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 35.1 m120 -134.53 -70.3 0.51 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.408 -0.807 . . . . 0.0 109.803 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.17 101.64 3.16 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.41 -0.806 . . . . 0.0 109.187 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.449 ' C ' ' H ' ' C' ' 60' ' ' ALA . 72.1 m95 -116.74 150.72 37.77 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.571 -0.706 . . . . 0.0 110.255 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 54.95 7.19 0.96 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.457 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -76.23 24.01 0.14 Allowed 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.122 -1.222 . . . . 0.0 109.246 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.439 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.03 113.7 3.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.08 -1.013 . . . . 0.0 109.837 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -106.79 13.24 28.14 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.391 -0.818 . . . . 0.0 110.2 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 63' ' ' ARG . . . . . 0.771 HH21 HH21 ' B' ' 63' ' ' ARG . 44.2 mtt-85 -121.87 23.39 10.09 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 177.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 30.0 mp0 -150.15 151.43 33.1 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 179.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 6.7 t -107.18 59.91 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.112 -0.992 . . . . 0.0 109.053 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.88 158.16 42.84 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.411 -0.805 . . . . 0.0 109.918 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -126.68 132.57 51.15 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.419 HG23 ' O ' ' C' ' 68' ' ' THR . 4.9 t -97.63 119.83 36.92 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.292 -0.88 . . . . 0.0 110.539 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.569 HG23 ' O ' ' C' ' 69' ' ' THR . 15.3 t -115.74 120.98 41.1 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.41 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 94.6 t -124.62 86.53 55.48 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 121.347 -0.846 . . . . 0.0 109.615 -179.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -84.11 66.08 7.0 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.732 2.288 . . . . 0.0 112.017 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.412 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 22.2 t90 -69.38 132.65 89.53 Favored Pre-proline 0 C--N 1.301 -1.533 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' C' ' 72' ' ' TRP . 79.8 Cg_exo -40.2 148.39 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.205 0 C-N-CA 121.335 1.357 . . . . 0.0 111.0 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.531 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 8.8 t-20 -129.97 -53.07 1.13 Allowed 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.45 124.0 33.54 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.8 m -80.4 110.28 15.7 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.794 -1.191 . . . . 0.0 108.078 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 mt -79.96 136.86 36.72 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.748 0.785 . . . . 0.0 109.716 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.549 HG23 ' O ' ' C' ' 78' ' ' THR . 5.9 t -89.67 114.73 61.73 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.664 -0.648 . . . . 0.0 109.366 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -90.73 -47.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.031 0 C-N-CA 121.697 1.598 . . . . 0.0 113.809 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -122.08 -44.28 2.29 Favored 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -177.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.599 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.5 p90 -59.84 -47.32 86.21 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.375 -1.453 . . . . 0.0 112.882 -175.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.599 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.0 t30 -74.59 -46.55 37.94 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 119.864 -1.773 . . . . 0.0 110.569 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -60.09 -50.02 75.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.02 -1.05 . . . . 0.0 110.677 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -63.04 -42.95 99.86 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.702 -1.249 . . . . 0.0 109.412 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.514 HG23 ' O ' ' C' ' 81' ' ' TRP . 71.1 p -70.1 -39.99 75.21 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.198 -0.939 . . . . 0.0 109.82 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 35.5 t-105 -68.82 -40.1 79.69 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.354 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.09 -41.81 93.27 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.644 -1.285 . . . . 0.0 108.751 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.01 -41.78 97.19 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.956 -1.09 . . . . 0.0 108.474 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.492 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 71.1 t90 -60.04 -49.86 76.0 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.36 -42.74 99.19 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.342 -0.849 . . . . 0.0 109.921 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.65 -41.97 98.26 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.186 -0.946 . . . . 0.0 110.454 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -60.12 -42.02 93.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.94 -1.1 . . . . 0.0 109.171 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.67 -40.43 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.398 -0.814 . . . . 0.0 109.395 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.17 -40.42 95.96 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.2 -0.937 . . . . 0.0 110.895 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -69.99 -39.93 75.62 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.975 -1.078 . . . . 0.0 109.723 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 96' ' ' LEU . . . . . 0.475 HD23 HH11 ' B' ' 23' ' ' ARG . 96.1 mt -68.51 -40.0 81.01 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.114 -0.991 . . . . 0.0 108.815 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 97' ' ' GLU . . . . . 0.465 ' CD ' HH12 ' C' ' 29' ' ' ARG . 88.6 tt0 -60.82 -46.01 92.21 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 121.138 -0.976 . . . . 0.0 109.617 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.35 -40.24 96.75 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.003 -1.061 . . . . 0.0 109.459 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -64.14 -40.43 96.14 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.377 -0.827 . . . . 0.0 110.333 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.83 -40.44 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.079 -1.013 . . . . 0.0 109.523 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 44.1 p -63.1 -42.02 99.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.015 -1.053 . . . . 0.0 109.703 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.82 -46.59 84.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.09 -1.006 . . . . 0.0 109.187 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.41 -46.54 89.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.41 -0.806 . . . . 0.0 109.453 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.46 -41.5 97.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.042 -1.036 . . . . 0.0 109.806 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.0 -46.15 90.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.268 -0.895 . . . . 0.0 108.978 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.85 -42.27 99.68 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.6 98.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.332 -0.855 . . . . 0.0 110.008 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.79 -42.95 98.56 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.924 -1.11 . . . . 0.0 109.99 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.43 -41.85 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.132 -0.98 . . . . 0.0 109.448 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -69.85 -40.12 75.98 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -59.99 -49.9 75.86 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.194 -0.942 . . . . 0.0 109.352 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.8 -42.31 98.85 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.324 -0.86 . . . . 0.0 109.325 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -62.58 -40.26 96.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.281 -0.887 . . . . 0.0 110.126 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -65.53 -41.83 92.63 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.009 -1.057 . . . . 0.0 109.326 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 60.5 ttm -69.82 -39.97 76.18 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.355 -0.841 . . . . 0.0 108.791 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.86 -46.49 89.14 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.37 -0.831 . . . . 0.0 108.792 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.24 -40.05 92.59 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.456 -0.778 . . . . 0.0 109.19 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.04 -40.66 90.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.398 -0.813 . . . . 0.0 109.071 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.8 mt-30 -61.36 -40.42 94.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.887 . . . . 0.0 109.786 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -60.06 -39.3 85.53 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.09 -1.006 . . . . 0.0 109.307 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.62 -46.92 87.55 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -130.41 62.34 1.58 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.388 -0.82 . . . . 0.0 109.494 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.494 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 118.113 -0.946 . . . . 0.0 108.906 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.7 mm100 -69.96 145.17 52.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.259 -0.9 . . . . 0.0 109.116 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -88.23 61.64 6.33 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.14 -0.975 . . . . 0.0 109.147 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.489 ' HG2' HH11 ' A' ' 4' ' ' ARG . 30.2 mtt-85 -65.1 -39.91 93.82 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.553 HG23 ' N ' ' A' ' 6' ' ' LEU . 9.9 t -60.04 -44.38 94.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.331 -0.856 . . . . 0.0 109.545 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.553 ' N ' HG23 ' A' ' 5' ' ' THR . 59.6 tp -60.09 -45.3 93.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.94 -1.1 . . . . 0.0 108.66 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.7 mt -59.98 -39.99 87.56 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.52 -0.738 . . . . 0.0 109.567 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.95 87.13 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.131 -0.98 . . . . 0.0 108.569 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.02 64.22 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.99 -46.72 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.412 -1.051 . . . . 0.0 109.542 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.96 -46.61 93.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.007 -1.058 . . . . 0.0 109.266 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.76 -39.93 90.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.326 -0.858 . . . . 0.0 109.991 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.06 -40.77 90.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.021 -1.05 . . . . 0.0 108.933 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -62.25 -41.34 98.35 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.049 -1.032 . . . . 0.0 109.261 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -61.42 -42.63 99.05 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.012 -1.055 . . . . 0.0 108.674 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -63.04 -40.83 98.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.312 -0.868 . . . . 0.0 109.495 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.43 -39.98 92.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.154 -0.967 . . . . 0.0 109.212 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.63 -42.98 99.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.349 -0.845 . . . . 0.0 109.294 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -60.02 -48.99 79.41 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.25 -0.907 . . . . 0.0 109.778 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.98 -40.25 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.161 -0.962 . . . . 0.0 109.707 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.06 -43.2 92.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.24 -0.913 . . . . 0.0 108.89 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -63.17 -40.45 97.58 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.475 ' HE ' HD11 ' B' ' 103' ' ' LEU . 53.9 mtt-85 -60.35 -40.05 89.34 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.3 -0.875 . . . . 0.0 109.536 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.09 -40.05 88.25 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.082 -1.011 . . . . 0.0 109.189 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -59.93 -46.11 90.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.068 -1.02 . . . . 0.0 109.428 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.28 -41.82 98.82 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.153 -0.967 . . . . 0.0 109.957 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.595 HD23 HD13 ' B' ' 28' ' ' LEU . 23.3 tp -61.12 -40.47 93.9 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.222 -0.924 . . . . 0.0 109.7 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.601 HD13 HD23 ' C' ' 27' ' ' LEU . 86.4 mt -60.18 -40.02 88.55 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.906 . . . . 0.0 109.403 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.5 HH12 ' CD ' ' A' ' 97' ' ' GLU . 35.0 mtt-85 -60.0 -40.09 88.01 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.203 -0.936 . . . . 0.0 109.048 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 15.3 mt -64.9 -40.03 94.45 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.004 -1.06 . . . . 0.0 109.813 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.8 p -65.11 -40.0 93.9 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.933 -1.105 . . . . 0.0 109.739 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.61 -40.0 85.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.246 -0.909 . . . . 0.0 109.005 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -60.05 -43.42 95.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.399 -0.813 . . . . 0.0 110.268 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.3 -49.28 80.31 Favored Glycine 0 N--CA 1.49 2.26 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.353 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -60.0 -50.03 75.36 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.111 -1.229 . . . . 0.0 110.133 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -60.01 -40.08 88.0 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.16 -0.962 . . . . 0.0 110.019 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.04 -40.61 89.96 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.086 -1.009 . . . . 0.0 109.701 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.21 -39.95 88.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.16 -0.963 . . . . 0.0 109.736 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -60.0 -41.95 93.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.028 -1.045 . . . . 0.0 109.882 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.408 ' O ' ' OG1' ' A' ' 43' ' ' THR . 40.4 p -60.48 -41.31 93.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.717 -1.239 . . . . 0.0 108.642 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.481 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 35.0 mtt-85 -64.32 -39.81 94.64 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.0 -42.59 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.391 -0.818 . . . . 0.0 109.293 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 40' ' ' THR . 71.6 p -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.056 -1.027 . . . . 0.0 109.968 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.86 92.81 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.105 -0.997 . . . . 0.0 108.966 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.64 -38.65 79.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.478 -0.764 . . . . 0.0 109.408 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.166 -0.959 . . . . 0.0 108.826 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -59.99 -44.13 94.72 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.519 -0.738 . . . . 0.0 109.623 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 68.0 m-85 -68.31 -38.36 81.52 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.174 -0.954 . . . . 0.0 109.752 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.9 -40.09 87.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.041 -1.037 . . . . 0.0 108.869 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -59.95 -40.02 87.57 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.684 -1.26 . . . . 0.0 108.223 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -60.0 -39.02 84.32 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.256 -0.903 . . . . 0.0 108.736 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.485 ' OE1' ' N ' ' A' ' 53' ' ' ALA . 5.7 tm0? -59.77 -40.06 86.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 109.044 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.485 ' N ' ' OE1' ' A' ' 52' ' ' GLN . . . -58.25 -35.58 71.94 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.002 -1.061 . . . . 0.0 108.938 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.96 -39.87 87.08 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.197 -0.939 . . . . 0.0 109.172 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.6 mt -73.74 113.09 10.48 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.004 -1.06 . . . . 0.0 109.124 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 26.5 m120 -133.41 -70.1 0.54 Allowed 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.367 -0.833 . . . . 0.0 109.05 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.89 88.02 1.51 Allowed 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.482 ' C ' ' H ' ' A' ' 60' ' ' ALA . 60.6 m95 -103.2 151.07 23.06 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.307 -0.87 . . . . 0.0 110.944 -178.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 51.49 9.42 0.43 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.539 ' HB1' ' HA ' ' C' ' 60' ' ' ALA . . . -74.87 23.73 0.1 Allowed 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.296 -1.12 . . . . 0.0 108.877 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -155.57 109.85 2.88 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.158 -0.964 . . . . 0.0 110.217 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -105.05 12.84 31.73 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.266 -0.896 . . . . 0.0 109.739 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.64 21.89 12.7 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 177.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -151.02 152.57 33.68 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -107.1 60.13 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.043 -1.035 . . . . 0.0 109.222 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.1 157.88 43.32 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.216 -0.927 . . . . 0.0 109.436 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -124.88 133.0 53.24 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 68' ' ' THR . 5.2 t -97.54 120.08 37.25 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.33 -0.856 . . . . 0.0 110.759 -178.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.52 121.88 44.85 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.419 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 59.8 t -129.41 87.77 52.34 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.269 -0.894 . . . . 0.0 109.232 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -84.67 67.3 6.43 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.788 2.325 . . . . 0.0 112.266 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.417 ' O ' ' C ' ' A' ' 73' ' ' PRO . 32.6 t90 -69.03 130.16 91.64 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.459 -0.776 . . . . 0.0 109.096 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' TRP . 91.5 Cg_exo -39.2 148.33 0.12 Allowed 'Trans proline' 0 N--CA 1.487 1.138 0 C-N-CA 121.337 1.358 . . . . 0.0 111.473 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.555 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 19.5 t-20 -127.34 -52.63 1.39 Allowed 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.03 125.12 34.38 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.2 t -81.81 106.65 13.91 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.9 mt -80.71 135.8 36.07 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.682 0.753 . . . . 0.0 110.273 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 78' ' ' THR . 3.7 t -92.58 113.94 60.95 Favored Pre-proline 0 N--CA 1.492 1.674 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -89.67 -47.67 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.195 0 C-N-CA 121.762 1.642 . . . . 0.0 114.337 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -121.58 -44.45 2.34 Favored 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.2 p90 -59.91 -48.84 80.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.343 -1.473 . . . . 0.0 112.25 -175.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.623 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.3 t30 -70.91 -43.76 67.61 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.194 -1.566 . . . . 0.0 110.558 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -60.01 -49.99 75.51 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.037 -1.039 . . . . 0.0 110.705 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.91 -45.57 94.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.879 -1.138 . . . . 0.0 109.519 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 81' ' ' TRP . 76.5 p -68.21 -40.0 82.26 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.301 -0.874 . . . . 0.0 109.892 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.45 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 34.4 t-105 -68.38 -40.07 81.54 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.966 -1.084 . . . . 0.0 109.715 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -59.98 -41.73 92.65 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.935 -1.103 . . . . 0.0 108.957 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -62.77 -42.25 99.6 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.038 -1.039 . . . . 0.0 108.397 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.482 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 60.7 t90 -59.93 -49.97 75.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.464 -0.772 . . . . 0.0 109.822 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -66.46 -40.59 89.46 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.334 -0.854 . . . . 0.0 109.572 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.64 -40.0 88.5 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.266 -0.896 . . . . 0.0 109.911 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -60.13 -43.85 95.38 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.971 -1.081 . . . . 0.0 108.963 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.11 -40.71 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.153 -0.967 . . . . 0.0 109.274 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -60.08 -40.14 88.52 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.356 -0.84 . . . . 0.0 110.723 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -69.36 -39.94 77.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.883 -1.135 . . . . 0.0 109.418 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.91 -40.22 91.29 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.155 -0.966 . . . . 0.0 108.506 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.5 ' CD ' HH12 ' A' ' 29' ' ' ARG . 87.6 tt0 -60.04 -47.34 86.25 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.435 -0.791 . . . . 0.0 109.186 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.99 -40.0 96.45 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.269 -0.894 . . . . 0.0 109.707 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 62.9 m-20 -65.98 -39.96 90.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.007 -1.058 . . . . 0.0 109.538 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.66 -40.41 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.185 -0.947 . . . . 0.0 109.18 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -61.99 -40.01 94.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.172 -0.955 . . . . 0.0 109.652 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.49 77.43 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.224 -0.923 . . . . 0.0 109.829 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.464 HD11 ' HE ' ' C' ' 23' ' ' ARG . 88.2 mt -62.54 -41.15 98.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.911 -1.118 . . . . 0.0 109.252 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.54 -46.91 88.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.093 -1.004 . . . . 0.0 108.672 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.07 -47.76 84.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.241 -0.912 . . . . 0.0 109.108 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.33 -40.91 92.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.288 -0.883 . . . . 0.0 109.494 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.46 99.56 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.343 -0.848 . . . . 0.0 109.711 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.94 -46.09 92.07 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.155 -0.965 . . . . 0.0 109.546 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.97 -48.22 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.259 -0.901 . . . . 0.0 109.19 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -68.02 -40.0 83.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.379 -0.826 . . . . 0.0 109.827 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -59.97 -49.93 75.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.123 -0.986 . . . . 0.0 109.675 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.21 -44.01 97.55 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.183 -0.948 . . . . 0.0 109.139 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.43 -43.25 99.28 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.351 -0.843 . . . . 0.0 109.809 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -63.59 -43.44 96.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.1 -1.0 . . . . 0.0 109.517 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.53 -40.03 80.9 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.129 -0.982 . . . . 0.0 108.657 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -60.01 -48.58 81.13 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.492 -0.755 . . . . 0.0 109.312 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.85 -39.9 95.81 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.127 -0.983 . . . . 0.0 109.496 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.0 -40.19 92.58 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.254 -0.904 . . . . 0.0 109.582 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.0 mt-30 -60.55 -41.84 95.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.071 -1.018 . . . . 0.0 110.055 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -60.46 -39.47 87.68 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.078 -1.014 . . . . 0.0 109.491 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.441 HD13 ' NH1' ' A' ' 4' ' ' ARG . 94.9 mt -59.36 -47.66 84.59 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -124.1 60.12 1.14 Allowed 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 117.963 -1.017 . . . . 0.0 108.943 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.197 0.522 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -69.91 145.12 52.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.268 -0.895 . . . . 0.0 109.127 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -88.11 61.54 6.34 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.084 -1.01 . . . . 0.0 109.167 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.487 ' HG2' HH11 ' B' ' 4' ' ' ARG . 30.1 mtt-85 -65.11 -39.78 93.59 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.554 HG23 ' N ' ' B' ' 6' ' ' LEU . 9.7 t -59.99 -44.44 94.51 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.39 -0.819 . . . . 0.0 109.538 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.554 ' N ' HG23 ' B' ' 5' ' ' THR . 59.8 tp -60.02 -45.45 92.75 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.009 -1.057 . . . . 0.0 108.611 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.7 mt -59.93 -39.81 86.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.546 -0.721 . . . . 0.0 109.63 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.03 87.73 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.118 -0.989 . . . . 0.0 108.597 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.37 -46.34 64.17 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.9 -46.67 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -1.096 . . . . 0.0 109.611 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 63.5 t -60.0 -46.74 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.072 -1.017 . . . . 0.0 109.292 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.45 -40.06 89.78 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.271 -0.893 . . . . 0.0 109.87 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.05 -40.64 90.11 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.041 -1.037 . . . . 0.0 109.105 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 31.3 mt-30 -62.31 -41.35 98.46 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.899 -1.126 . . . . 0.0 109.274 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.61 -42.32 98.71 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.167 -0.958 . . . . 0.0 108.603 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -63.4 -40.6 97.65 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.391 -0.818 . . . . 0.0 109.454 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.58 -40.02 92.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.019 -1.051 . . . . 0.0 109.225 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.48 -43.24 99.22 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.266 -0.896 . . . . 0.0 109.155 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -60.07 -48.93 79.65 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.316 -0.865 . . . . 0.0 109.772 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.95 -40.14 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.078 -1.014 . . . . 0.0 109.767 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.97 -43.11 91.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 121.21 -0.931 . . . . 0.0 108.854 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -63.42 -40.28 96.75 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.489 ' HE ' HD11 ' C' ' 103' ' ' LEU . 54.0 mtt-85 -60.46 -39.97 89.51 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.392 -0.818 . . . . 0.0 109.558 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.1 -39.97 88.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.065 -1.022 . . . . 0.0 109.239 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -60.07 -45.71 91.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.048 -1.032 . . . . 0.0 109.386 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.03 -41.21 99.47 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.126 -0.984 . . . . 0.0 109.917 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.59 HD23 HD13 ' C' ' 28' ' ' LEU . 23.1 tp -61.45 -40.54 94.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.024 -1.047 . . . . 0.0 109.617 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.595 HD13 HD23 ' A' ' 27' ' ' LEU . 87.0 mt -59.96 -40.1 87.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.164 -0.96 . . . . 0.0 109.474 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.5 HH12 ' CD ' ' B' ' 97' ' ' GLU . 35.2 mtt-85 -59.95 -40.04 87.63 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.154 -0.967 . . . . 0.0 109.04 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.521 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 15.2 mt -65.05 -40.11 94.3 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.009 -1.057 . . . . 0.0 109.848 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 78.7 p -65.06 -39.91 93.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.913 -1.117 . . . . 0.0 109.654 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.74 -39.89 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.958 . . . . 0.0 109.012 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -60.04 -43.61 95.24 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.351 -0.843 . . . . 0.0 110.301 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -49.46 78.29 Favored Glycine 0 N--CA 1.49 2.252 0 C-N-CA 119.78 -1.2 . . . . 0.0 110.339 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.93 -50.04 75.34 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.036 -1.273 . . . . 0.0 110.102 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -59.99 -40.02 87.76 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.206 -0.934 . . . . 0.0 109.982 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.23 -40.47 90.34 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.192 -0.943 . . . . 0.0 109.687 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.21 -40.07 88.82 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.061 -1.024 . . . . 0.0 109.712 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -59.92 -41.9 92.77 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.042 -1.037 . . . . 0.0 110.039 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 43.1 p -60.48 -41.28 93.89 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.731 -1.231 . . . . 0.0 108.546 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.488 ' NH2' ' CG ' ' C' ' 82' ' ' ASN . 35.0 mtt-85 -64.16 -40.04 95.28 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.96 -42.71 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.54 -0.725 . . . . 0.0 109.186 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 70.8 p -60.0 -40.02 87.79 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.99 -1.069 . . . . 0.0 110.079 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.9 92.86 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.08 -1.013 . . . . 0.0 108.889 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.51 -38.81 79.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.52 -0.737 . . . . 0.0 109.467 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.145 -0.972 . . . . 0.0 108.758 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -60.06 -44.1 94.94 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.531 -0.73 . . . . 0.0 109.574 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 67.6 m-85 -68.21 -38.36 81.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.219 -0.925 . . . . 0.0 109.811 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 64.2 mt -59.89 -40.11 87.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.092 -1.005 . . . . 0.0 108.818 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.05 -39.97 87.8 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.651 -1.281 . . . . 0.0 108.176 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -59.95 -39.08 84.32 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.244 -0.91 . . . . 0.0 108.727 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.479 ' OE1' ' N ' ' B' ' 53' ' ' ALA . 5.7 tm0? -59.85 -39.99 87.03 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.233 -0.917 . . . . 0.0 109.068 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.479 ' N ' ' OE1' ' B' ' 52' ' ' GLN . . . -58.24 -35.53 71.86 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.899 -1.125 . . . . 0.0 108.901 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.93 -39.89 87.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.193 -0.942 . . . . 0.0 109.174 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 84.0 mt -73.76 113.08 10.5 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.944 -1.097 . . . . 0.0 109.087 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 26.4 m120 -133.53 -70.12 0.53 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.374 -0.829 . . . . 0.0 109.014 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.62 88.06 1.54 Allowed 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.47 ' C ' ' H ' ' B' ' 60' ' ' ALA . 60.5 m95 -103.25 151.3 22.82 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.465 -0.772 . . . . 0.0 111.055 -178.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 51.14 9.94 0.41 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.544 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -75.39 23.48 0.11 Allowed 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.246 -1.15 . . . . 0.0 108.85 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -155.13 109.63 2.95 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.196 -0.94 . . . . 0.0 110.219 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -104.81 12.69 32.36 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.283 -0.886 . . . . 0.0 109.776 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.51 21.95 12.71 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 177.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 28.7 mp0 -151.13 152.5 33.46 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -107.1 60.12 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 120.997 -1.064 . . . . 0.0 109.137 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.85 158.03 43.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.239 -0.913 . . . . 0.0 109.424 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -125.14 132.85 53.01 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.43 HG23 ' O ' ' B' ' 68' ' ' THR . 5.1 t -97.58 119.97 37.12 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.307 -0.871 . . . . 0.0 110.736 -177.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.39 121.91 45.03 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.42 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 61.3 t -129.36 87.91 52.12 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.257 -0.902 . . . . 0.0 109.192 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -84.8 67.27 6.33 Favored 'Trans proline' 0 N--CA 1.488 1.199 0 C-N-CA 122.841 2.36 . . . . 0.0 112.267 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.406 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 32.4 t90 -69.06 130.2 91.57 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.416 -0.802 . . . . 0.0 109.092 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.406 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 92.4 Cg_exo -39.21 148.3 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.32 1.347 . . . . 0.0 111.541 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.542 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 19.9 t-20 -127.27 -52.52 1.39 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.11 125.27 34.49 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 29.1 t -81.89 106.55 13.9 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 44.6 mt -80.69 135.91 36.09 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.694 0.759 . . . . 0.0 110.13 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.46 HG23 ' O ' ' B' ' 78' ' ' THR . 3.4 t -92.83 113.85 60.88 Favored Pre-proline 0 N--CA 1.494 1.736 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -89.64 -47.63 0.03 OUTLIER 'Trans proline' 0 N--CA 1.487 1.127 0 C-N-CA 121.788 1.659 . . . . 0.0 114.28 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -121.55 -44.56 2.34 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -176.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.618 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.3 p90 -59.99 -48.66 80.79 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.375 -1.453 . . . . 0.0 112.233 -175.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.618 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.2 t30 -71.13 -43.72 67.03 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.239 -1.538 . . . . 0.0 110.486 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -60.01 -50.08 75.13 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.041 -1.037 . . . . 0.0 110.637 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.58 -45.51 93.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.861 -1.149 . . . . 0.0 109.656 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.45 HG23 ' O ' ' B' ' 81' ' ' TRP . 75.0 p -68.49 -40.0 81.07 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.261 -0.899 . . . . 0.0 109.847 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' TRP . . . . . 0.453 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 34.2 t-105 -68.33 -40.06 81.75 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 118.994 -1.083 . . . . 0.0 109.734 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -59.96 -41.79 92.7 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.911 -1.118 . . . . 0.0 108.969 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.62 -42.05 99.36 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.077 -1.014 . . . . 0.0 108.582 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.497 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.7 t90 -60.09 -49.95 75.63 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.49 -0.756 . . . . 0.0 109.717 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -66.07 -41.21 91.04 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.161 -0.962 . . . . 0.0 109.543 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.1 -39.97 90.39 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.292 -0.88 . . . . 0.0 110.106 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -60.53 -43.65 96.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.115 -0.991 . . . . 0.0 108.862 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.2 -40.56 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.215 -0.928 . . . . 0.0 109.378 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -60.16 -40.0 88.36 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.382 -0.824 . . . . 0.0 110.805 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -69.48 -40.01 77.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.875 -1.14 . . . . 0.0 109.368 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.84 -40.27 91.58 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.078 -1.013 . . . . 0.0 108.541 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' GLU . . . . . 0.5 ' CD ' HH12 ' B' ' 29' ' ' ARG . 88.1 tt0 -59.98 -47.18 86.89 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.458 -0.776 . . . . 0.0 109.186 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.25 -40.01 96.22 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.279 -0.888 . . . . 0.0 109.696 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 63.0 m-20 -65.75 -40.0 91.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.011 -1.056 . . . . 0.0 109.401 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.1 mt -65.69 -40.79 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.27 -0.894 . . . . 0.0 109.186 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 40.9 p -61.67 -40.02 93.46 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.035 -1.04 . . . . 0.0 109.753 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.96 -49.77 76.36 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.124 -0.985 . . . . 0.0 109.877 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.475 HD11 ' HE ' ' A' ' 23' ' ' ARG . 87.4 mt -62.04 -41.59 98.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.968 -1.083 . . . . 0.0 109.3 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.17 -47.01 87.75 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.055 -1.028 . . . . 0.0 108.695 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.04 -47.95 83.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.206 -0.934 . . . . 0.0 109.038 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.09 -41.22 92.02 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 0.0 109.517 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.24 99.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 0.0 109.839 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.25 -45.83 92.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.19 -0.944 . . . . 0.0 109.54 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.99 -48.52 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.901 . . . . 0.0 109.172 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.78 -39.94 84.01 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.397 -0.814 . . . . 0.0 109.816 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.11 -50.01 75.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.132 -0.98 . . . . 0.0 109.647 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.12 -43.88 97.86 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.142 -0.974 . . . . 0.0 109.104 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.63 -42.7 99.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.369 -0.832 . . . . 0.0 109.879 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -64.28 -42.85 96.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.033 -1.042 . . . . 0.0 109.544 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -68.83 -40.06 79.66 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.209 -0.932 . . . . 0.0 108.572 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -59.99 -48.57 81.16 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.447 -0.783 . . . . 0.0 109.387 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.82 -40.04 96.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.099 -1.001 . . . . 0.0 109.384 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.7 -40.57 92.71 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.344 -0.848 . . . . 0.0 109.704 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.3 mt-30 -60.38 -42.02 94.97 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.106 -0.996 . . . . 0.0 110.002 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -60.14 -39.42 86.23 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.172 -0.955 . . . . 0.0 109.667 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 121' ' ' LEU . . . . . 0.425 HD13 ' NH1' ' B' ' 4' ' ' ARG . 94.8 mt -59.54 -47.89 83.79 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -124.02 60.03 1.13 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.769 0 O-C-N 121.025 -1.047 . . . . 0.0 108.919 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.213 0.53 . . . . 0.0 109.695 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 96.3 mm-40 -70.03 145.22 51.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.194 -0.941 . . . . 0.0 109.071 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -88.32 61.58 6.26 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.134 -0.979 . . . . 0.0 109.194 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.489 ' HG2' HH11 ' C' ' 4' ' ' ARG . 29.8 mtt-85 -65.12 -39.9 93.73 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.508 -0.745 . . . . 0.0 109.033 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.563 HG23 ' N ' ' C' ' 6' ' ' LEU . 9.8 t -60.04 -44.46 94.64 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.46 -0.775 . . . . 0.0 109.561 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.563 ' N ' HG23 ' C' ' 5' ' ' THR . 60.1 tp -59.91 -45.34 92.88 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.032 -1.043 . . . . 0.0 108.649 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.9 -40.04 87.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.514 -0.742 . . . . 0.0 109.678 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.04 87.14 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.152 -0.968 . . . . 0.0 108.594 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.49 -46.12 64.44 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.04 -46.73 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.387 -1.066 . . . . 0.0 109.606 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.99 -46.8 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.072 -1.017 . . . . 0.0 109.192 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.59 -39.97 90.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.157 -0.964 . . . . 0.0 109.99 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.99 -40.64 89.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.034 -1.041 . . . . 0.0 109.108 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -62.42 -40.8 97.73 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.066 -1.021 . . . . 0.0 109.325 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -61.78 -42.75 99.39 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.081 -1.012 . . . . 0.0 108.675 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -62.75 -41.36 99.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.286 -0.884 . . . . 0.0 109.568 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.95 -40.04 94.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.126 -0.984 . . . . 0.0 109.276 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.67 -42.97 99.64 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.376 -0.828 . . . . 0.0 109.246 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.94 -49.1 79.01 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.291 -0.88 . . . . 0.0 109.88 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.05 -40.02 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.043 -1.036 . . . . 0.0 109.667 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.01 -43.2 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.152 -0.967 . . . . 0.0 108.926 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -63.33 -40.48 97.41 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.464 ' HE ' HD11 ' A' ' 103' ' ' LEU . 54.5 mtt-85 -60.36 -40.08 89.49 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.387 -0.821 . . . . 0.0 109.592 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.0 -40.08 87.99 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.174 -0.954 . . . . 0.0 109.231 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -59.94 -45.88 91.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.009 -1.057 . . . . 0.0 109.455 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.71 -41.42 99.13 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.197 -0.939 . . . . 0.0 109.872 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.601 HD23 HD13 ' A' ' 28' ' ' LEU . 23.5 tp -61.27 -40.65 94.9 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.205 -0.935 . . . . 0.0 109.668 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.59 HD13 HD23 ' B' ' 27' ' ' LEU . 86.7 mt -60.07 -39.89 87.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.306 -0.871 . . . . 0.0 109.543 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 29' ' ' ARG . . . . . 0.508 HH12 ' CD ' ' C' ' 97' ' ' GLU . 34.4 mtt-85 -60.05 -40.01 87.95 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.223 -0.923 . . . . 0.0 108.986 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.482 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 15.3 mt -65.22 -39.99 93.5 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.045 -1.034 . . . . 0.0 109.767 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -64.94 -40.04 94.43 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.958 -1.089 . . . . 0.0 109.691 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.73 -40.01 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.232 -0.918 . . . . 0.0 109.084 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -59.96 -43.43 95.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.472 -0.767 . . . . 0.0 110.3 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.33 -49.47 78.21 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 119.84 -1.171 . . . . 0.0 110.301 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -59.96 -50.07 75.18 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.065 -1.256 . . . . 0.0 109.952 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -59.92 -39.98 87.31 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.198 -0.939 . . . . 0.0 110.07 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -60.1 -40.72 90.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.151 -0.968 . . . . 0.0 109.686 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.12 -40.06 88.42 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.154 -0.966 . . . . 0.0 109.702 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -60.01 -41.57 92.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.074 -1.016 . . . . 0.0 109.921 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' THR . . . . . 0.419 ' O ' ' OG1' ' C' ' 43' ' ' THR . 43.1 p -60.73 -41.3 95.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.736 -1.228 . . . . 0.0 108.503 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.469 ' NH2' ' CG ' ' A' ' 82' ' ' ASN . 35.0 mtt-85 -64.2 -39.98 95.11 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.05 -42.51 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.473 -0.767 . . . . 0.0 109.227 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' C' ' 40' ' ' THR . 69.2 p -60.03 -40.04 87.96 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.102 -0.999 . . . . 0.0 110.093 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.77 92.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.112 -0.993 . . . . 0.0 108.916 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 91.3 mt -60.65 -38.66 79.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.486 -0.759 . . . . 0.0 109.428 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.88 -40.12 87.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.192 -0.942 . . . . 0.0 108.896 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -60.06 -43.85 95.13 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.451 -0.78 . . . . 0.0 109.645 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.555 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 68.4 m-85 -68.67 -38.17 80.19 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.166 -0.959 . . . . 0.0 109.791 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 61.4 mt -59.89 -40.05 87.41 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.006 -1.059 . . . . 0.0 108.846 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -59.94 -40.04 87.61 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.738 -1.226 . . . . 0.0 108.226 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.0 -39.13 84.69 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.138 -0.976 . . . . 0.0 108.665 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' C' ' 53' ' ' ALA . 5.7 tm0? -59.83 -40.03 87.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.182 -0.949 . . . . 0.0 109.081 179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 53' ' ' ALA . . . . . 0.484 ' N ' ' OE1' ' C' ' 52' ' ' GLN . . . -58.17 -35.52 71.69 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.945 -1.097 . . . . 0.0 108.955 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -59.91 -40.02 87.38 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.161 -0.962 . . . . 0.0 109.109 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 83.8 mt -73.73 113.14 10.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.97 -1.081 . . . . 0.0 109.086 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 27.0 m120 -133.55 -69.98 0.54 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.323 -0.86 . . . . 0.0 109.132 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.26 88.25 1.5 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.46 ' C ' ' H ' ' C' ' 60' ' ' ALA . 60.8 m95 -103.36 151.27 22.94 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.426 -0.796 . . . . 0.0 110.952 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 51.56 9.43 0.45 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 178.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.544 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -75.11 24.17 0.1 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.331 -1.099 . . . . 0.0 108.956 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.06 109.64 2.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.256 -0.903 . . . . 0.0 110.248 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -104.86 12.64 32.33 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.285 -0.885 . . . . 0.0 109.757 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.49 22.06 12.64 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 177.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 28.6 mp0 -151.25 152.53 33.37 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 t -107.18 60.25 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.112 -0.993 . . . . 0.0 109.176 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.97 157.8 43.35 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.356 -0.84 . . . . 0.0 109.375 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -124.97 132.9 53.2 Favored 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.428 HG23 ' O ' ' C' ' 68' ' ' THR . 5.1 t -97.59 120.23 37.59 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.339 -0.851 . . . . 0.0 110.756 -178.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.46 121.82 44.7 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.432 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 60.0 t -129.21 87.62 53.39 Favored Pre-proline 0 N--CA 1.499 2.01 0 O-C-N 121.371 -0.831 . . . . 0.0 109.127 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.63 67.38 6.45 Favored 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 122.739 2.293 . . . . 0.0 112.329 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.414 ' O ' ' C ' ' C' ' 73' ' ' PRO . 31.8 t90 -69.02 130.31 91.54 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.502 -0.749 . . . . 0.0 109.132 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' C' ' 72' ' ' TRP . 91.1 Cg_exo -39.35 148.28 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.173 0 C-N-CA 121.374 1.382 . . . . 0.0 111.399 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 19.9 t-20 -127.31 -52.44 1.39 Allowed 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.09 125.22 34.47 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 30.6 t -81.81 106.5 13.79 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 45.7 mt -80.66 135.87 36.1 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.6 0.714 . . . . 0.0 110.226 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.444 HG23 ' O ' ' C' ' 78' ' ' THR . 3.5 t -92.9 113.64 60.34 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -89.48 -47.67 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.169 0 C-N-CA 121.836 1.691 . . . . 0.0 114.251 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -121.65 -44.3 2.34 Favored 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.62 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.3 p90 -60.07 -48.9 79.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.302 -1.499 . . . . 0.0 112.156 -175.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.62 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.3 t30 -70.87 -43.82 67.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.194 -1.566 . . . . 0.0 110.578 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -60.07 -49.94 75.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.025 -1.047 . . . . 0.0 110.688 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.6 -45.6 93.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.786 -1.196 . . . . 0.0 109.58 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.457 HG23 ' O ' ' C' ' 81' ' ' TRP . 79.9 p -68.56 -39.91 80.86 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.284 -0.885 . . . . 0.0 109.801 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 86' ' ' TRP . . . . . 0.434 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 34.3 t-105 -68.36 -40.05 81.62 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.965 -1.084 . . . . 0.0 109.696 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -59.92 -41.9 92.74 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.891 -1.131 . . . . 0.0 109.012 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.53 -42.33 99.45 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.391 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.521 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.0 t90 -60.11 -49.97 75.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.501 -0.749 . . . . 0.0 109.825 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -65.93 -40.93 91.82 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.221 -0.924 . . . . 0.0 109.481 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.42 -40.13 89.35 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.238 -0.913 . . . . 0.0 110.03 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -60.14 -43.8 95.44 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.045 -1.034 . . . . 0.0 109.001 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.07 -40.55 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.22 -0.925 . . . . 0.0 109.395 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -60.0 -40.42 89.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.414 -0.804 . . . . 0.0 110.803 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -69.31 -39.88 78.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.933 -1.104 . . . . 0.0 109.417 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 83.5 mt -65.95 -40.26 91.19 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.135 -0.978 . . . . 0.0 108.468 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 97' ' ' GLU . . . . . 0.508 ' CD ' HH12 ' C' ' 29' ' ' ARG . 87.7 tt0 -59.95 -47.76 84.5 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.431 -0.793 . . . . 0.0 109.103 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.6 -40.0 95.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.313 -0.867 . . . . 0.0 109.782 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -65.85 -40.16 91.45 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.089 -1.007 . . . . 0.0 109.429 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.63 -40.36 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.156 -0.965 . . . . 0.0 109.184 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.9 p -62.09 -39.99 94.34 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.131 -0.981 . . . . 0.0 109.698 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.76 76.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.118 -0.989 . . . . 0.0 109.883 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 103' ' ' LEU . . . . . 0.489 HD11 ' HE ' ' B' ' 23' ' ' ARG . 87.3 mt -62.11 -41.56 98.34 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.949 -1.094 . . . . 0.0 109.184 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.11 -47.0 87.71 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.152 -0.967 . . . . 0.0 108.799 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.08 -47.59 85.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.304 -0.872 . . . . 0.0 109.167 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.53 -40.92 93.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.377 -0.827 . . . . 0.0 109.433 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.0 99.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.272 -0.892 . . . . 0.0 109.758 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.28 -45.78 93.07 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.133 -0.98 . . . . 0.0 109.629 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.91 -48.49 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.227 -0.921 . . . . 0.0 109.149 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.96 -40.01 83.28 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.41 -0.806 . . . . 0.0 109.725 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -59.99 -50.02 75.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.054 -1.029 . . . . 0.0 109.683 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.94 -44.46 96.72 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.242 -0.911 . . . . 0.0 109.098 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.09 -43.2 99.35 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.268 -0.895 . . . . 0.0 109.779 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -63.71 -43.32 96.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.015 -1.053 . . . . 0.0 109.581 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.45 -40.03 81.24 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.221 -0.924 . . . . 0.0 108.573 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -59.98 -48.68 80.7 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.432 -0.792 . . . . 0.0 109.363 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.95 -39.97 96.25 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.164 -0.96 . . . . 0.0 109.349 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.78 -40.49 92.79 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.236 -0.915 . . . . 0.0 109.558 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.2 mt-30 -60.07 -42.65 95.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.072 -1.018 . . . . 0.0 109.966 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -59.93 -38.79 83.4 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.15 -0.969 . . . . 0.0 109.821 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 121' ' ' LEU . . . . . 0.433 HD13 ' NH1' ' C' ' 4' ' ' ARG . 95.1 mt -59.89 -47.64 84.95 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -124.11 59.75 1.15 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.517 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 117.99 -1.005 . . . . 0.0 108.968 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -77.73 146.06 36.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.229 -0.919 . . . . 0.0 109.389 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 p -88.67 61.97 6.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.256 -0.902 . . . . 0.0 109.074 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -63.93 -39.98 95.4 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.372 -0.83 . . . . 0.0 109.336 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.432 ' H ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -60.83 -41.73 96.35 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.199 -0.938 . . . . 0.0 108.997 179.66 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.6 tp -61.8 -42.42 98.98 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.106 -0.996 . . . . 0.0 108.765 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.4 mt -60.06 -39.93 87.72 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.518 -0.739 . . . . 0.0 110.073 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.0 87.91 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.032 -1.042 . . . . 0.0 108.701 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.71 -46.43 54.01 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.5 mt -59.91 -46.18 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.408 -1.054 . . . . 0.0 109.79 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.3 t -60.03 -44.48 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.061 -1.024 . . . . 0.0 108.774 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.91 -40.05 94.11 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.258 -0.901 . . . . 0.0 109.744 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -59.96 -42.16 93.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.107 -0.996 . . . . 0.0 109.305 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -60.13 -42.21 94.31 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.043 -1.036 . . . . 0.0 108.731 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.58 -43.57 98.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.311 -0.868 . . . . 0.0 109.031 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 73.0 mt-30 -60.13 -44.58 94.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 109.147 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.42 -42.11 98.22 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.35 -0.844 . . . . 0.0 109.484 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.445 HD11 HD23 ' A' ' 104' ' ' LEU . 63.6 tp -60.27 -42.38 95.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.359 -0.838 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.97 -47.85 84.12 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.225 -0.922 . . . . 0.0 110.111 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.3 -40.77 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.04 -1.037 . . . . 0.0 109.56 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.04 -41.66 87.09 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.41 -0.806 . . . . 0.0 109.005 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -62.26 -41.15 98.2 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.505 -0.747 . . . . 0.0 109.209 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HE ' HD11 ' B' ' 103' ' ' LEU . 52.8 mtt-85 -61.66 -40.08 93.65 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.427 -0.796 . . . . 0.0 109.856 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.94 -40.07 87.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.99 -1.069 . . . . 0.0 109.538 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -59.98 -49.95 75.67 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.178 -0.951 . . . . 0.0 108.996 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.91 -42.24 97.68 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.128 -0.982 . . . . 0.0 109.37 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.63 -40.99 93.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.344 -0.847 . . . . 0.0 109.013 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.54 -40.05 90.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.348 -0.845 . . . . 0.0 109.474 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -59.99 -40.46 89.28 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.181 -0.95 . . . . 0.0 109.388 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.484 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 95.9 mt -61.57 -41.9 98.07 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.073 -1.017 . . . . 0.0 109.514 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -63.37 -40.6 97.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.121 -0.987 . . . . 0.0 109.828 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.29 -40.1 84.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.357 -0.84 . . . . 0.0 109.249 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -59.97 -43.72 94.93 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.289 -0.882 . . . . 0.0 110.451 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.07 -50.0 72.45 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.884 -1.287 . . . . 0.0 109.884 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.7 m -59.97 -49.94 75.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.101 -1.235 . . . . 0.0 109.93 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -61.68 -39.96 93.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.135 -0.978 . . . . 0.0 109.708 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.12 -40.31 89.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.318 -0.864 . . . . 0.0 109.634 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.9 mt -60.66 -40.04 90.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.167 -0.958 . . . . 0.0 109.492 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -59.94 -40.62 89.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.1 -1.0 . . . . 0.0 109.641 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.8 p -60.07 -40.29 89.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.887 -1.133 . . . . 0.0 108.482 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.842 ' NH2' HD22 ' B' ' 82' ' ' ASN . 71.9 mtt180 -66.53 -39.97 88.88 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.1 -40.09 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.449 -0.782 . . . . 0.0 109.162 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.2 p -60.02 -39.98 87.73 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.842 -1.161 . . . . 0.0 108.635 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.5 94.92 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.208 -0.932 . . . . 0.0 108.9 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.1 mt -59.97 -39.71 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.447 -0.783 . . . . 0.0 109.127 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.01 -40.13 88.19 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.2 -0.937 . . . . 0.0 110.04 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -62.4 -42.15 99.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.901 -1.124 . . . . 0.0 109.033 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.587 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 54.8 m-85 -65.5 -39.57 92.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.361 -0.837 . . . . 0.0 109.777 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.8 mt -59.96 -39.58 86.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.1 -1.0 . . . . 0.0 108.816 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.03 -40.0 87.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.419 ' HB3' HE22 ' A' ' 52' ' ' GLN . 41.2 t0 -59.96 -40.13 88.0 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.356 -0.84 . . . . 0.0 109.096 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.666 ' NE2' ' N ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.805 -1.184 . . . . 0.0 109.162 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.3 -35.78 74.41 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.011 -1.056 . . . . 0.0 108.712 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -59.99 -40.02 87.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.374 -0.829 . . . . 0.0 108.875 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.2 mt -71.49 113.85 8.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.07 -1.018 . . . . 0.0 109.082 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -134.29 -71.22 0.5 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.595 -0.691 . . . . 0.0 109.401 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.69 88.06 1.67 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -105.93 141.86 36.62 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.502 -0.749 . . . . 0.0 110.824 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 66.82 6.61 37.83 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.994 -1.642 . . . . 0.0 108.994 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.56 ' HB1' ' HA ' ' C' ' 60' ' ' ALA . . . -72.27 22.78 0.05 Allowed 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.557 -0.966 . . . . 0.0 109.568 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.74 109.73 2.34 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.171 -0.956 . . . . 0.0 109.674 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -102.22 12.29 36.94 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.196 -0.94 . . . . 0.0 110.205 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.475 ' HG2' HH11 ' A' ' 63' ' ' ARG . 6.1 mmt-85 -122.19 23.66 9.76 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -148.93 151.83 35.32 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.2 t -106.69 60.78 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.162 -0.961 . . . . 0.0 109.148 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.94 157.99 43.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.193 -0.942 . . . . 0.0 110.001 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -129.41 134.31 47.79 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.9 t -96.36 122.18 38.96 Favored 'General case' 0 N--CA 1.501 2.102 0 CA-C-O 121.917 0.865 . . . . 0.0 110.931 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.51 120.85 43.05 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -130.61 81.19 68.35 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.313 -0.867 . . . . 0.0 109.032 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.7 68.34 7.63 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.842 2.361 . . . . 0.0 112.312 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.492 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 45.1 t90 -68.31 135.06 91.1 Favored Pre-proline 0 N--CA 1.49 1.566 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.492 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 91.9 Cg_exo -39.42 149.05 0.11 Allowed 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.368 1.379 . . . . 0.0 111.022 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.538 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 2.0 t30 -127.04 -59.32 1.26 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.345 -0.847 . . . . 0.0 109.034 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.38 126.46 36.47 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.4 t -80.67 109.01 14.8 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.026 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 mt -79.54 137.44 37.18 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 78' ' ' THR . 5.2 t -86.51 115.17 61.22 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.424 -0.797 . . . . 0.0 109.69 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -93.94 -45.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.031 0 C-N-CA 121.868 1.712 . . . . 0.0 113.458 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -121.41 -45.07 2.34 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.694 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 5.4 p90 -59.94 -50.11 75.03 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.395 -1.44 . . . . 0.0 113.424 -175.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.874 HD22 ' NH2' ' C' ' 41' ' ' ARG . 4.4 t-20 -70.15 -39.73 75.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.143 -1.598 . . . . 0.0 111.015 -177.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -59.98 -49.84 76.08 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.901 -1.124 . . . . 0.0 110.387 -178.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -65.04 -41.91 94.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.525 -1.359 . . . . 0.0 109.852 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.6 p -71.72 -40.05 69.72 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.185 -0.947 . . . . 0.0 109.906 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -69.94 -39.97 75.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.012 -1.055 . . . . 0.0 109.26 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.413 ' HB2' HE21 ' A' ' 87' ' ' GLN . 19.1 mt-30 -60.01 -41.01 91.24 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.565 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.3 -41.44 96.99 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.112 -0.993 . . . . 0.0 108.532 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.499 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 59.1 t90 -59.98 -50.02 75.37 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.499 -0.75 . . . . 0.0 109.368 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.66 -40.47 96.92 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.369 -0.832 . . . . 0.0 109.396 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -60.19 -44.45 95.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.389 -0.819 . . . . 0.0 110.456 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -59.99 -41.84 92.95 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.816 -1.178 . . . . 0.0 109.58 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.94 -42.14 88.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.171 -0.956 . . . . 0.0 108.91 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -59.97 -45.52 92.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.416 -0.803 . . . . 0.0 110.225 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -64.61 -40.03 94.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.041 -1.037 . . . . 0.0 109.938 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.92 -40.56 83.37 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.896 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.455 ' O ' HG23 ' A' ' 101' ' ' THR . 88.8 tt0 -61.13 -48.72 80.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.14 -0.975 . . . . 0.0 109.194 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.84 -41.87 96.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.878 . . . . 0.0 109.502 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -65.93 -40.29 91.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.342 -0.849 . . . . 0.0 109.419 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.6 mt -68.6 -40.77 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.34 -0.85 . . . . 0.0 109.263 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 97' ' ' GLU . 35.4 p -61.72 -41.85 98.17 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.206 -0.934 . . . . 0.0 109.199 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.93 75.75 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.301 -0.874 . . . . 0.0 109.206 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.423 HD11 ' HE ' ' C' ' 23' ' ' ARG . 93.9 mt -60.66 -42.92 97.99 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.233 -0.917 . . . . 0.0 109.33 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.445 HD23 HD11 ' A' ' 18' ' ' LEU . 83.8 mt -60.07 -48.5 81.44 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.141 -0.975 . . . . 0.0 109.071 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.94 -48.55 81.23 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.158 -0.964 . . . . 0.0 109.278 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.69 -42.53 97.35 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.305 -0.872 . . . . 0.0 109.169 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.3 93.84 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.314 -0.867 . . . . 0.0 109.513 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.98 -46.19 90.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.135 -0.978 . . . . 0.0 109.471 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.04 -49.83 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 109.4 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 63.7 tp60 -65.47 -40.07 92.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.327 -0.858 . . . . 0.0 109.793 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -59.97 -47.26 86.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.401 -0.812 . . . . 0.0 109.49 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.37 -41.57 98.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.185 -0.947 . . . . 0.0 109.473 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -61.58 -41.34 97.26 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.275 -0.891 . . . . 0.0 109.329 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -60.03 -48.46 81.63 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.143 -0.973 . . . . 0.0 109.083 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.49 -40.16 95.15 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.237 -0.914 . . . . 0.0 108.903 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -59.96 -47.76 84.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.412 -0.805 . . . . 0.0 108.938 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.02 -39.94 93.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.17 -0.957 . . . . 0.0 109.091 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 63.5 tp -60.05 -42.91 95.47 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.508 -0.745 . . . . 0.0 109.472 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.546 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.8 mt-30 -61.02 -40.56 94.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.252 -0.905 . . . . 0.0 110.17 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.07 -39.77 87.19 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.071 -1.018 . . . . 0.0 109.016 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.24 -47.66 84.52 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -123.79 61.14 1.09 Allowed 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.185 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.352 0.596 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -77.99 146.06 35.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.287 -0.883 . . . . 0.0 109.379 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 28.7 p -88.49 61.75 6.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.336 -0.853 . . . . 0.0 109.077 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -63.8 -40.07 95.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.553 -0.717 . . . . 0.0 109.289 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.436 ' H ' HG22 ' B' ' 5' ' ' THR . 0.1 OUTLIER -60.82 -41.45 95.78 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.135 -0.978 . . . . 0.0 108.981 179.754 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.2 tp -62.31 -42.24 99.2 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.06 -1.025 . . . . 0.0 108.755 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 32.6 mt -60.07 -40.07 88.26 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.52 -0.737 . . . . 0.0 109.929 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.97 87.52 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.1 -1.0 . . . . 0.0 108.778 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.67 -46.36 54.58 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.121 -1.591 . . . . 0.0 109.121 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.97 -46.26 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.304 -1.115 . . . . 0.0 109.727 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.03 -44.5 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.015 -1.053 . . . . 0.0 108.728 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.93 -40.0 94.0 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -0.899 . . . . 0.0 109.728 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.02 -41.95 93.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.167 -0.958 . . . . 0.0 109.312 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -60.38 -42.3 95.56 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.046 -1.033 . . . . 0.0 108.762 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.58 -43.45 98.83 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.343 -0.848 . . . . 0.0 109.013 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -60.1 -44.4 94.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.306 -0.871 . . . . 0.0 109.215 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.73 -41.94 98.3 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.297 -0.877 . . . . 0.0 109.457 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.452 HD11 HD23 ' B' ' 104' ' ' LEU . 63.6 tp -60.22 -42.58 95.48 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.403 -0.811 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -60.04 -47.55 85.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.886 . . . . 0.0 110.057 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.37 -41.02 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.13 -0.981 . . . . 0.0 109.518 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.99 -41.62 86.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.27 -0.894 . . . . 0.0 109.041 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -62.21 -41.09 98.06 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.435 -0.791 . . . . 0.0 109.125 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.435 ' HE ' HD11 ' C' ' 103' ' ' LEU . 53.7 mtt-85 -61.72 -40.03 93.61 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.354 -0.841 . . . . 0.0 109.951 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.99 -40.06 87.85 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.92 -1.113 . . . . 0.0 109.544 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 68.4 tp60 -59.97 -49.7 76.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.124 -0.985 . . . . 0.0 109.057 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.37 -41.89 97.83 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.264 -0.898 . . . . 0.0 109.385 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.95 -40.98 95.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.891 . . . . 0.0 108.956 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.41 -39.93 89.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.436 -0.79 . . . . 0.0 109.428 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.02 -40.42 89.25 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.133 -0.979 . . . . 0.0 109.354 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.52 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 96.9 mt -61.69 -41.39 97.53 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.043 -1.036 . . . . 0.0 109.576 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.5 p -63.93 -40.36 96.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.0 109.759 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.1 t -61.45 -40.15 85.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.238 -0.913 . . . . 0.0 109.23 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -60.08 -43.5 95.44 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.337 -0.852 . . . . 0.0 110.398 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.41 -49.83 74.31 Favored Glycine 0 N--CA 1.488 2.148 0 C-N-CA 119.491 -1.338 . . . . 0.0 109.792 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.4 m -59.9 -50.08 75.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.129 -1.218 . . . . 0.0 110.005 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -61.43 -40.05 93.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.111 -0.993 . . . . 0.0 109.717 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.418 HD21 ' C ' ' B' ' 37' ' ' ASN . 0.5 OUTLIER -60.0 -40.86 90.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.415 -0.803 . . . . 0.0 109.487 -179.525 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.25 -40.02 88.8 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.212 -0.93 . . . . 0.0 109.507 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -59.98 -40.51 89.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.068 -1.02 . . . . 0.0 109.703 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.4 ' O ' ' OG1' ' B' ' 43' ' ' THR . 81.2 p -60.02 -40.52 89.62 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.939 -1.101 . . . . 0.0 108.399 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.843 ' NH2' HD22 ' C' ' 82' ' ' ASN . 71.5 mtt180 -66.46 -40.0 89.15 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.129 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.04 -40.09 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.501 -0.749 . . . . 0.0 109.162 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' B' ' 40' ' ' THR . 73.9 p -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.97 -1.081 . . . . 0.0 108.407 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.5 95.32 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.204 -0.935 . . . . 0.0 108.792 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 86.7 mt -60.05 -39.76 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.4 -0.813 . . . . 0.0 109.177 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.04 -39.97 87.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.9 . . . . 0.0 110.072 -178.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -62.51 -42.08 99.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.876 -1.14 . . . . 0.0 109.076 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.572 ' O ' ' NE2' ' B' ' 52' ' ' GLN . 55.1 m-85 -65.58 -39.75 91.96 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.274 -0.891 . . . . 0.0 109.704 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 57.8 mt -59.95 -39.56 86.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.053 -1.03 . . . . 0.0 108.763 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.95 -39.98 87.41 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.041 -1.037 . . . . 0.0 108.251 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -60.05 -40.01 87.94 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.332 -0.855 . . . . 0.0 109.123 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.666 ' NE2' ' N ' ' B' ' 52' ' ' GLN . 0.0 OUTLIER -59.96 -40.05 87.71 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.778 -1.201 . . . . 0.0 109.202 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -59.23 -35.68 74.08 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.962 -1.086 . . . . 0.0 108.63 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.217 -0.927 . . . . 0.0 108.88 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 63.8 mt -71.6 114.01 9.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.123 -0.985 . . . . 0.0 109.058 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -134.49 -70.79 0.5 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.578 -0.701 . . . . 0.0 109.35 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.93 88.09 1.65 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -105.97 141.78 36.79 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.531 -0.73 . . . . 0.0 110.777 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 66.69 6.86 38.25 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.531 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -72.69 22.66 0.06 Allowed 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.613 -0.934 . . . . 0.0 109.387 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.31 109.93 2.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.005 -1.059 . . . . 0.0 109.687 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -102.41 12.14 36.98 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.123 -0.985 . . . . 0.0 110.193 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.483 ' HG2' HH11 ' B' ' 63' ' ' ARG . 6.2 mmt-85 -122.17 23.76 9.73 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 177.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -149.13 151.88 35.15 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.1 t -106.78 60.79 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.168 -0.957 . . . . 0.0 109.036 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.79 158.08 43.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.241 -0.912 . . . . 0.0 109.927 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -129.6 134.32 47.65 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 2.8 t -96.47 122.16 39.08 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.24 -0.912 . . . . 0.0 110.979 -178.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.56 120.51 41.83 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.6 t -130.33 81.29 68.63 Favored Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 121.249 -0.907 . . . . 0.0 109.044 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -82.79 68.43 7.57 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.827 2.351 . . . . 0.0 112.373 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.496 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 45.5 t90 -68.24 135.27 91.29 Favored Pre-proline 0 N--CA 1.491 1.611 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.496 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 94.1 Cg_exo -39.68 149.05 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.358 1.372 . . . . 0.0 111.087 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.549 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 2.2 t30 -127.02 -59.56 1.25 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.381 -0.825 . . . . 0.0 109.077 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.13 126.31 36.17 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 30.5 t -80.36 108.75 14.23 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.697 -1.201 . . . . 0.0 108.145 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.1 mt -79.18 137.4 37.43 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.579 HG23 ' O ' ' B' ' 78' ' ' THR . 5.2 t -86.74 115.09 61.15 Favored Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.38 -0.825 . . . . 0.0 109.736 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -93.94 -46.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.047 0 C-N-CA 121.821 1.681 . . . . 0.0 113.464 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -121.29 -44.98 2.35 Favored 'General case' 0 N--CA 1.505 2.321 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.692 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 5.5 p90 -59.97 -50.14 74.92 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.329 -1.482 . . . . 0.0 113.402 -175.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.842 HD22 ' NH2' ' A' ' 41' ' ' ARG . 4.7 t-20 -70.26 -39.67 74.84 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.162 -1.586 . . . . 0.0 111.094 -178.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 46.4 t30 -60.04 -49.7 76.62 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.928 -1.108 . . . . 0.0 110.4 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.26 -41.78 93.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.418 -1.427 . . . . 0.0 109.819 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 71.3 p -71.78 -40.02 69.53 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.194 -0.941 . . . . 0.0 109.913 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -69.97 -40.03 75.62 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.964 -1.085 . . . . 0.0 109.236 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' GLN . . . . . 0.42 ' HB2' HE21 ' B' ' 87' ' ' GLN . 19.1 mt-30 -60.0 -41.08 91.3 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.909 -1.12 . . . . 0.0 108.508 179.652 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.16 -41.61 97.08 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.2 -0.938 . . . . 0.0 108.646 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.484 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.3 t90 -59.98 -50.05 75.29 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.444 -0.785 . . . . 0.0 109.302 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.53 -40.58 97.4 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.349 -0.845 . . . . 0.0 109.288 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -60.09 -44.64 94.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.359 -0.838 . . . . 0.0 110.491 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -60.02 -41.7 92.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.795 -1.19 . . . . 0.0 109.595 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 57.2 t -60.05 -42.04 88.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.11 -0.994 . . . . 0.0 108.925 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -59.96 -45.72 91.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.386 -0.821 . . . . 0.0 110.299 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -64.48 -40.02 94.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.961 -1.087 . . . . 0.0 109.931 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.85 -40.63 83.66 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 118.939 -1.104 . . . . 0.0 108.947 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 101' ' ' THR . 88.4 tt0 -60.97 -48.49 81.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.144 -0.973 . . . . 0.0 109.189 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.18 -41.61 97.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.408 -0.807 . . . . 0.0 109.52 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -66.03 -40.0 90.66 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.283 -0.886 . . . . 0.0 109.523 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 84.9 mt -69.09 -40.04 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.451 -0.781 . . . . 0.0 109.191 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 101' ' ' THR . . . . . 0.449 HG23 ' O ' ' B' ' 97' ' ' GLU . 34.4 p -62.37 -41.66 98.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.149 -0.969 . . . . 0.0 109.052 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.82 76.17 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.186 -0.946 . . . . 0.0 109.323 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.445 HD11 ' HE ' ' A' ' 23' ' ' ARG . 94.4 mt -60.94 -42.91 99.12 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.256 -0.903 . . . . 0.0 109.27 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.452 HD23 HD11 ' B' ' 18' ' ' LEU . 83.7 mt -59.95 -48.51 81.41 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.136 -0.978 . . . . 0.0 109.141 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.01 -48.57 81.18 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.075 -1.016 . . . . 0.0 109.303 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.76 -42.38 97.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.323 -0.861 . . . . 0.0 109.257 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.08 94.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.35 -0.844 . . . . 0.0 109.48 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.99 -46.29 89.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.159 -0.963 . . . . 0.0 109.479 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.07 -49.88 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.238 -0.914 . . . . 0.0 109.455 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -65.22 -40.09 93.66 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.316 -0.865 . . . . 0.0 109.738 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -60.02 -47.79 84.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.219 -0.925 . . . . 0.0 109.382 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.66 -42.1 99.43 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.119 -0.988 . . . . 0.0 109.387 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -61.11 -41.49 96.77 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.321 -0.862 . . . . 0.0 109.439 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -60.04 -48.78 80.3 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.155 -0.966 . . . . 0.0 108.992 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.1 -40.1 95.49 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.324 -0.86 . . . . 0.0 108.977 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -60.06 -47.95 83.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.386 -0.821 . . . . 0.0 108.914 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.68 -39.94 93.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.238 -0.914 . . . . 0.0 109.14 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.06 -43.08 95.67 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.444 -0.785 . . . . 0.0 109.466 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.546 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.8 mt-30 -60.81 -40.45 92.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.23 -0.919 . . . . 0.0 110.174 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -60.44 -39.77 88.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.003 -1.061 . . . . 0.0 108.963 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.15 -47.5 85.05 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -123.87 61.1 1.09 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.546 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.209 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -78.03 146.05 35.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.275 -0.89 . . . . 0.0 109.484 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 28.8 p -88.46 61.84 6.32 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 109.006 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -63.93 -40.01 95.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.476 -0.765 . . . . 0.0 109.261 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.406 HG22 ' H ' ' C' ' 5' ' ' THR . 0.1 OUTLIER -60.9 -41.79 96.78 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.161 -0.962 . . . . 0.0 109.005 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.96 -42.09 98.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.061 -1.024 . . . . 0.0 108.709 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 mt -60.36 -40.02 89.25 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.567 -0.708 . . . . 0.0 109.96 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.94 87.49 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.096 -1.003 . . . . 0.0 108.772 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.67 -46.36 54.58 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.02 -46.19 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.411 -1.052 . . . . 0.0 109.704 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.97 -44.41 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.036 -1.04 . . . . 0.0 108.813 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.05 -39.94 94.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.164 -0.96 . . . . 0.0 109.8 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.06 -41.96 93.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.201 -0.937 . . . . 0.0 109.2 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -60.32 -42.09 94.89 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.052 -1.03 . . . . 0.0 108.756 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.71 -43.54 98.66 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.449 -0.782 . . . . 0.0 109.055 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -60.07 -44.45 94.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.325 -0.859 . . . . 0.0 109.186 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.57 -41.93 98.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.311 -0.868 . . . . 0.0 109.533 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.463 HD11 HD23 ' C' ' 104' ' ' LEU . 63.6 tp -60.27 -42.77 96.1 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.322 -0.861 . . . . 0.0 109.207 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.95 -47.64 84.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.258 -0.901 . . . . 0.0 110.057 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.09 -41.1 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.078 -1.014 . . . . 0.0 109.688 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -41.71 86.94 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.442 -0.786 . . . . 0.0 108.972 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -62.12 -41.0 97.8 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.405 -0.81 . . . . 0.0 109.245 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.423 ' HE ' HD11 ' A' ' 103' ' ' LEU . 52.0 mtt-85 -61.89 -39.95 93.73 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.439 -0.788 . . . . 0.0 109.865 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.01 -40.1 88.12 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.007 -1.058 . . . . 0.0 109.455 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 68.3 tp60 -60.02 -49.76 76.41 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.152 -0.967 . . . . 0.0 109.06 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.22 -41.86 97.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.958 . . . . 0.0 109.447 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.91 -41.03 95.34 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.349 -0.844 . . . . 0.0 109.025 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.38 -39.98 89.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.451 -0.781 . . . . 0.0 109.421 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.01 -40.45 89.3 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.156 -0.965 . . . . 0.0 109.468 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.499 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 95.9 mt -61.76 -41.66 97.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.145 -0.972 . . . . 0.0 109.542 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -63.62 -40.36 96.7 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.083 -1.01 . . . . 0.0 109.765 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 71.9 t -61.64 -39.95 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.248 -0.908 . . . . 0.0 109.164 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -60.08 -43.42 95.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.324 -0.86 . . . . 0.0 110.469 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.32 -49.98 72.67 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -59.94 -49.97 75.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.088 -1.242 . . . . 0.0 109.916 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.57 -39.99 93.11 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.183 -0.948 . . . . 0.0 109.685 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.432 ' C ' HD21 ' C' ' 37' ' ' ASN . 0.5 OUTLIER -60.02 -40.6 89.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.416 -0.803 . . . . 0.0 109.516 -179.724 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.42 -40.06 89.66 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.132 -0.98 . . . . 0.0 109.563 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -59.96 -40.57 89.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.102 -0.999 . . . . 0.0 109.719 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 81.5 p -60.11 -40.39 89.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.84 -1.162 . . . . 0.0 108.497 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.874 ' NH2' HD22 ' A' ' 82' ' ' ASN . 71.3 mtt180 -66.52 -40.04 88.94 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.96 -40.06 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.446 -0.784 . . . . 0.0 109.202 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 72.4 p -60.05 -39.97 87.78 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.86 -1.136 . . . . 0.0 108.5 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.44 95.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.206 -0.934 . . . . 0.0 108.924 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.05 -39.72 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.389 -0.82 . . . . 0.0 109.149 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.03 -39.98 87.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.258 -0.901 . . . . 0.0 110.044 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -62.59 -41.96 99.27 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.77 -1.206 . . . . 0.0 109.048 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.573 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 55.3 m-85 -65.76 -39.52 91.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.378 -0.826 . . . . 0.0 109.664 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.99 -39.55 86.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.976 -1.077 . . . . 0.0 108.767 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.95 -40.0 87.5 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -60.01 -39.93 87.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.319 -0.863 . . . . 0.0 109.225 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.673 ' NE2' ' N ' ' C' ' 52' ' ' GLN . 0.0 OUTLIER -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.755 -1.215 . . . . 0.0 109.058 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 53' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -59.28 -35.87 74.53 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.013 -1.054 . . . . 0.0 108.628 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.96 -40.06 87.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.395 -0.815 . . . . 0.0 108.862 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 66.1 mt -71.3 113.85 8.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.121 -0.987 . . . . 0.0 109.034 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -134.25 -71.15 0.5 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.549 -0.719 . . . . 0.0 109.396 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.93 88.13 1.66 Allowed 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -105.93 142.17 36.09 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.499 -0.751 . . . . 0.0 110.666 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 66.52 6.69 36.3 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.108 -1.597 . . . . 0.0 109.108 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.56 ' HA ' ' HB1' ' A' ' 60' ' ' ALA . . . -72.57 22.94 0.06 Allowed 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.588 -0.948 . . . . 0.0 109.541 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.74 109.6 2.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.14 -0.975 . . . . 0.0 109.686 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -102.13 12.0 37.44 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.135 -0.978 . . . . 0.0 110.283 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 63' ' ' ARG . . . . . 0.494 ' HG2' HH11 ' C' ' 63' ' ' ARG . 6.3 mmt-85 -121.91 23.67 9.94 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 177.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 29.2 mp0 -148.99 151.85 35.28 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.2 t -106.62 60.6 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.149 -0.969 . . . . 0.0 109.197 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.86 158.15 43.79 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.233 -0.917 . . . . 0.0 109.873 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -129.54 134.28 47.67 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 2.9 t -96.19 122.41 39.02 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.256 -0.902 . . . . 0.0 111.005 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.85 120.74 42.48 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -130.72 80.99 68.73 Favored Pre-proline 0 N--CA 1.498 1.939 0 O-C-N 121.283 -0.885 . . . . 0.0 108.993 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.61 68.43 7.65 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 122.854 2.369 . . . . 0.0 112.421 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.497 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 45.5 t90 -68.28 135.52 91.22 Favored Pre-proline 0 N--CA 1.491 1.584 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.497 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 95.7 Cg_exo -39.52 148.98 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.175 0 C-N-CA 121.383 1.388 . . . . 0.0 111.104 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 2.1 t30 -127.14 -59.46 1.24 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.371 -0.83 . . . . 0.0 109.053 -179.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.3 126.4 36.37 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 30.0 t -80.6 109.03 14.73 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.798 -1.189 . . . . 0.0 108.196 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 mt -79.54 137.31 37.13 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.583 HG23 ' O ' ' C' ' 78' ' ' THR . 5.2 t -86.69 115.15 61.31 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.316 -0.865 . . . . 0.0 109.74 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -93.83 -45.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.047 0 C-N-CA 121.892 1.728 . . . . 0.0 113.488 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -121.37 -44.96 2.35 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -177.054 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.681 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 5.5 p90 -60.08 -49.99 75.48 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.252 -1.53 . . . . 0.0 113.41 -175.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.843 HD22 ' NH2' ' B' ' 41' ' ' ARG . 4.6 t-20 -70.39 -39.77 74.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.144 -1.597 . . . . 0.0 111.164 -178.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -60.06 -49.51 77.38 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.974 -1.079 . . . . 0.0 110.408 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -65.33 -41.84 93.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.473 -1.392 . . . . 0.0 109.863 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 72.5 p -71.7 -39.89 69.89 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.118 -0.989 . . . . 0.0 109.836 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 36.2 t-105 -70.09 -39.97 75.26 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.942 -1.099 . . . . 0.0 109.17 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 87' ' ' GLN . . . . . 0.407 HE21 ' HB2' ' C' ' 87' ' ' GLN . 19.1 mt-30 -60.01 -40.98 91.11 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 118.849 -1.141 . . . . 0.0 108.573 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.5 -41.27 97.05 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.147 -0.971 . . . . 0.0 108.555 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.52 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 59.7 t90 -60.03 -49.95 75.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.461 -0.774 . . . . 0.0 109.343 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.67 -40.66 97.39 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.352 -0.842 . . . . 0.0 109.39 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -60.02 -44.54 94.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.425 -0.797 . . . . 0.0 110.496 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.01 -41.72 92.76 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.854 -1.154 . . . . 0.0 109.653 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 61.0 t -60.03 -42.13 88.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.152 -0.968 . . . . 0.0 108.947 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.92 -45.54 92.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.42 -0.8 . . . . 0.0 110.264 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -64.77 -39.89 94.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.008 -1.058 . . . . 0.0 109.895 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.16 -40.51 82.34 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 119.005 -1.078 . . . . 0.0 108.891 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 97' ' ' GLU . . . . . 0.439 ' O ' HG23 ' C' ' 101' ' ' THR . 88.3 tt0 -60.97 -48.74 80.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.128 -0.982 . . . . 0.0 109.09 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.83 -41.86 96.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.398 -0.814 . . . . 0.0 109.517 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -65.94 -40.07 91.04 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.318 -0.864 . . . . 0.0 109.414 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 85.2 mt -68.97 -40.36 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.331 -0.855 . . . . 0.0 109.24 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 101' ' ' THR . . . . . 0.439 HG23 ' O ' ' C' ' 97' ' ' GLU . 35.4 p -62.06 -41.53 98.24 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.159 -0.963 . . . . 0.0 109.264 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.8 76.25 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.296 -0.878 . . . . 0.0 109.261 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 103' ' ' LEU . . . . . 0.435 HD11 ' HE ' ' B' ' 23' ' ' ARG . 94.5 mt -61.12 -42.71 99.03 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.192 -0.943 . . . . 0.0 109.269 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 104' ' ' LEU . . . . . 0.463 HD23 HD11 ' C' ' 18' ' ' LEU . 83.6 mt -60.0 -48.63 80.91 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.149 -0.969 . . . . 0.0 109.088 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.04 -48.33 82.17 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.116 -0.99 . . . . 0.0 109.345 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.81 -42.83 98.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.255 -0.903 . . . . 0.0 109.216 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.19 93.75 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.324 -0.86 . . . . 0.0 109.437 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.95 -46.3 89.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.121 -0.987 . . . . 0.0 109.498 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.01 -49.8 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.33 -0.857 . . . . 0.0 109.351 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -65.39 -40.02 92.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.247 -0.908 . . . . 0.0 109.753 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.98 -47.11 87.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.307 -0.871 . . . . 0.0 109.476 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.74 -41.05 98.09 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.171 -0.956 . . . . 0.0 109.479 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -62.12 -41.18 97.98 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.319 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -59.96 -48.77 80.36 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.148 -0.97 . . . . 0.0 109.112 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.19 -40.22 95.63 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.291 -0.88 . . . . 0.0 108.919 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -59.99 -47.89 83.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.381 -0.825 . . . . 0.0 108.959 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.73 -40.08 93.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.182 -0.948 . . . . 0.0 109.09 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.02 -42.88 95.3 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.453 -0.779 . . . . 0.0 109.359 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.8 mt-30 -60.99 -40.84 95.04 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.272 -0.892 . . . . 0.0 110.049 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -59.97 -39.32 85.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.983 -1.073 . . . . 0.0 109.288 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.78 -47.47 85.56 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -123.77 61.32 1.08 Allowed 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.544 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.245 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.463 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 48.0 mt-30 -69.64 143.91 53.09 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.257 -0.902 . . . . 0.0 109.467 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -89.15 59.97 5.16 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.375 -0.828 . . . . 0.0 108.878 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -62.91 -40.11 96.58 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.331 -0.855 . . . . 0.0 109.023 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.54 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.5 t -61.49 -44.9 96.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.378 -0.826 . . . . 0.0 109.906 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.54 ' N ' HG23 ' A' ' 5' ' ' THR . 57.3 tp -60.34 -42.46 95.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.028 . . . . 0.0 109.231 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.5 mt -60.48 -39.95 89.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.424 -0.797 . . . . 0.0 109.888 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.08 87.74 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.82 -48.23 50.26 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.06 -47.74 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.24 -1.153 . . . . 0.0 109.664 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.93 -41.09 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.061 -1.025 . . . . 0.0 108.949 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -60.12 -40.2 88.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.529 -0.732 . . . . 0.0 109.536 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -59.92 -41.62 92.14 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.303 -0.873 . . . . 0.0 109.49 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -61.15 -41.03 96.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.953 -1.092 . . . . 0.0 109.11 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.14 -45.72 92.06 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.35 -0.844 . . . . 0.0 108.866 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -60.82 -43.38 98.3 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.297 -0.877 . . . . 0.0 109.663 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.81 -41.79 98.2 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.213 -0.929 . . . . 0.0 109.475 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.17 -43.61 95.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.163 -0.961 . . . . 0.0 109.244 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -60.29 -47.79 84.49 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.353 -0.842 . . . . 0.0 109.638 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.6 t -60.03 -40.4 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.973 -1.08 . . . . 0.0 109.95 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.05 -43.08 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.196 -0.94 . . . . 0.0 108.532 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -61.36 -40.78 95.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.388 -0.82 . . . . 0.0 109.176 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -60.59 -40.07 90.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.277 -0.89 . . . . 0.0 109.537 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.89 -40.29 92.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.04 -1.038 . . . . 0.0 109.724 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.01 -48.96 79.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.147 -0.971 . . . . 0.0 109.156 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.14 -43.53 95.63 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.309 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.1 -41.37 98.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.359 -0.838 . . . . 0.0 109.26 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.09 -40.36 89.35 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.501 -0.75 . . . . 0.0 109.358 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.4 -41.35 93.69 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.272 -0.892 . . . . 0.0 109.788 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.517 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 78.6 mt -64.36 -40.43 95.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.99 -1.069 . . . . 0.0 109.32 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.1 p -64.23 -40.24 95.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.181 -0.949 . . . . 0.0 109.574 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.06 -40.1 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.358 -0.839 . . . . 0.0 109.54 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -60.15 -41.88 93.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.322 -0.861 . . . . 0.0 109.805 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.17 -44.41 97.42 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -60.09 -49.99 75.47 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.173 -1.192 . . . . 0.0 109.385 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -63.11 -39.89 96.01 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.321 -0.862 . . . . 0.0 109.046 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.605 HD21 ' NH2' ' A' ' 41' ' ' ARG . 59.5 t-20 -60.03 -40.64 90.06 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.39 -0.819 . . . . 0.0 109.773 -178.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.63 -39.93 90.09 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.06 -1.025 . . . . 0.0 108.507 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.2 -40.61 90.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.163 -0.96 . . . . 0.0 109.388 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.4 p -60.73 -41.24 94.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.825 -1.172 . . . . 0.0 108.85 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.605 ' NH2' HD21 ' A' ' 37' ' ' ASN . 29.4 mtt-85 -65.6 -39.97 92.15 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.5 t -60.34 -42.37 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.574 -0.704 . . . . 0.0 109.319 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.5 p -60.12 -40.02 88.28 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.924 -1.11 . . . . 0.0 109.177 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.28 95.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.999 -1.063 . . . . 0.0 108.228 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.13 -38.66 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.759 -0.588 . . . . 0.0 109.904 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.99 -41.04 91.18 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.62 -46.07 91.66 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 119.803 -0.759 . . . . 0.0 109.204 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 45.8 m-85 -64.27 -39.98 95.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 110.193 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.502 HD23 ' NE2' ' A' ' 52' ' ' GLN . 82.5 mt -60.18 -41.08 92.15 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.724 -1.235 . . . . 0.0 109.118 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -60.28 -39.92 88.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.783 -1.198 . . . . 0.0 109.177 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.07 -37.91 81.27 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.501 -0.749 . . . . 0.0 109.143 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.515 ' OE1' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.23 -39.76 83.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 0.0 108.336 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.577 ' O ' ' ND2' ' A' ' 56' ' ' ASN . . . -59.66 -35.97 75.49 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.124 -0.985 . . . . 0.0 109.108 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.14 -39.77 83.45 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.395 -0.816 . . . . 0.0 108.838 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.6 mt -79.43 113.5 17.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.833 -1.167 . . . . 0.0 108.674 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' A' ' 53' ' ' ALA . 65.7 m-80 -132.98 -68.16 0.6 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.476 -0.765 . . . . 0.0 109.265 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.35 88.36 1.57 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.402 ' C ' ' H ' ' A' ' 60' ' ' ALA . 46.6 m95 -109.0 147.32 32.48 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.55 -0.718 . . . . 0.0 110.236 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.36 0.52 11.27 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.479 ' HB1' ' HA ' ' C' ' 60' ' ' ALA . . . -72.06 25.75 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.524 -0.986 . . . . 0.0 109.554 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.68 115.08 3.01 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.024 -1.048 . . . . 0.0 109.891 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -112.38 12.6 20.17 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 121.49 -0.756 . . . . 0.0 110.698 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.62 HH21 HH21 ' C' ' 63' ' ' ARG . 6.0 ptp180 -133.4 25.35 4.13 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -142.59 151.63 41.72 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 t -105.2 59.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.094 -1.004 . . . . 0.0 108.752 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.36 157.59 40.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.298 -0.876 . . . . 0.0 110.2 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -129.26 133.22 47.41 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 68' ' ' THR . 4.5 t -96.89 119.22 34.97 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.236 -0.915 . . . . 0.0 110.625 -177.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 69' ' ' THR . 6.8 t -117.14 120.73 39.21 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.57 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 81.9 t -126.07 91.04 48.93 Favored Pre-proline 0 N--CA 1.502 2.133 0 O-C-N 121.311 -0.868 . . . . 0.0 109.53 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -85.8 62.37 5.34 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.759 2.306 . . . . 0.0 112.363 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.524 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 55.7 t90 -69.98 130.31 90.03 Favored Pre-proline 0 N--CA 1.49 1.574 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.524 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 80.2 Cg_exo -40.46 146.67 0.28 Allowed 'Trans proline' 0 N--CA 1.488 1.181 0 C-N-CA 121.055 1.17 . . . . 0.0 111.176 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.515 ' ND2' ' OE1' ' A' ' 52' ' ' GLN . 10.3 t-20 -132.61 10.03 4.33 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.367 -0.833 . . . . 0.0 109.21 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.34 121.61 8.98 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.4 p -82.07 105.0 12.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.83 -1.169 . . . . 0.0 108.595 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.1 mt -82.14 137.22 35.02 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.444 ' OG1' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -88.24 113.57 55.71 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.132 -0.98 . . . . 0.0 109.448 179.216 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -95.02 -48.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.031 0 C-N-CA 121.587 1.525 . . . . 0.0 113.869 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.59 -46.91 2.12 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.208 -0.932 . . . . 0.0 112.926 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.686 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 7.5 p90 -60.06 -56.71 18.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.256 -1.527 . . . . 0.0 112.156 -176.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.686 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.5 OUTLIER -80.09 -36.4 35.54 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.421 -1.424 . . . . 0.0 109.597 -179.208 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -60.06 -49.88 75.91 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.07 -1.018 . . . . 0.0 109.384 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.56 -44.56 96.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.936 -1.103 . . . . 0.0 109.679 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 81' ' ' TRP . 66.8 p -63.54 -40.08 96.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.021 -1.049 . . . . 0.0 109.682 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.405 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 47.0 t-105 -61.78 -39.86 93.15 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.935 -1.103 . . . . 0.0 109.788 -179.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.23 -42.67 95.72 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.892 -1.13 . . . . 0.0 108.865 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.13 -43.16 95.88 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.547 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 72.0 t90 -60.0 -50.14 74.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.543 -0.723 . . . . 0.0 109.761 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -64.05 -40.4 96.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.095 -1.003 . . . . 0.0 109.641 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -64.81 -40.07 94.61 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.098 -1.001 . . . . 0.0 110.226 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.08 -41.88 93.42 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.783 -1.198 . . . . 0.0 109.156 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.85 -40.47 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.04 -1.037 . . . . 0.0 109.411 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.61 -41.47 94.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.128 -0.982 . . . . 0.0 110.6 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -69.86 -39.99 76.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.905 -1.122 . . . . 0.0 109.8 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.57 -40.42 92.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.217 -0.927 . . . . 0.0 109.668 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.27 -49.15 78.73 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.142 -0.974 . . . . 0.0 108.909 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.34 -43.25 96.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.393 -0.817 . . . . 0.0 109.405 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -63.17 -40.62 98.06 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.298 -0.876 . . . . 0.0 109.888 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 85.5 mt -66.32 -41.88 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.993 -1.067 . . . . 0.0 109.16 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.5 p -60.88 -41.3 95.72 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.095 -1.003 . . . . 0.0 109.263 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.01 -46.29 91.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.172 -0.955 . . . . 0.0 109.574 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.08 -44.49 96.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.382 -0.824 . . . . 0.0 109.751 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.15 -40.24 95.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.177 -0.952 . . . . 0.0 108.979 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.77 -41.9 96.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.205 -0.934 . . . . 0.0 109.628 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.16 -39.95 78.46 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.103 -0.998 . . . . 0.0 109.201 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.58 -43.82 98.16 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.352 -0.842 . . . . 0.0 109.674 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.08 -48.06 83.31 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.138 -0.976 . . . . 0.0 109.194 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.14 -49.75 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.222 -0.924 . . . . 0.0 108.957 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -63.63 -40.89 98.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.588 -0.695 . . . . 0.0 109.802 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -60.12 -49.85 75.99 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.983 -1.073 . . . . 0.0 109.275 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -62.04 -40.62 96.38 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.424 -0.798 . . . . 0.0 109.714 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -64.57 -40.23 95.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.331 -0.856 . . . . 0.0 109.768 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -68.23 -40.46 82.03 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.985 -1.072 . . . . 0.0 109.514 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.88 -39.99 75.95 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.212 -0.93 . . . . 0.0 108.83 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' TYR . . . . . 0.589 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 64.9 t80 -60.33 -48.65 80.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.614 -0.679 . . . . 0.0 109.357 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.28 -40.0 92.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.133 -0.979 . . . . 0.0 109.587 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.23 -42.86 96.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.195 -0.94 . . . . 0.0 109.857 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.6 mt-30 -61.25 -40.16 93.01 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.11 -0.994 . . . . 0.0 110.036 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.589 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.2 mmtm -60.11 -39.59 86.72 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.227 -0.921 . . . . 0.0 109.277 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 98.8 mt -57.67 -47.34 82.58 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -124.16 60.58 1.13 Allowed 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.8 p . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.993 -1.003 . . . . 0.0 108.942 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.508 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 48.7 mt-30 -69.96 144.18 52.43 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.277 -0.889 . . . . 0.0 109.539 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -89.25 60.6 5.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.134 -0.978 . . . . 0.0 108.656 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.57 -39.97 95.76 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.405 -0.809 . . . . 0.0 109.006 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.554 HG23 ' N ' ' B' ' 6' ' ' LEU . 15.0 t -61.69 -44.85 96.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.579 -0.701 . . . . 0.0 109.806 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.554 ' N ' HG23 ' B' ' 5' ' ' THR . 55.9 tp -60.19 -42.62 95.43 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.053 -1.029 . . . . 0.0 108.927 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 59.7 mt -60.64 -39.89 89.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.326 -0.859 . . . . 0.0 109.875 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.0 87.33 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.915 -1.115 . . . . 0.0 108.113 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.79 -48.37 49.53 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.95 -47.56 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.214 -1.168 . . . . 0.0 109.621 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.14 -41.11 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.182 -0.949 . . . . 0.0 109.107 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -60.05 -40.21 88.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.445 -0.785 . . . . 0.0 109.222 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.05 -41.63 92.74 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.252 -0.905 . . . . 0.0 109.438 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -60.89 -41.22 95.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.073 -1.017 . . . . 0.0 109.168 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.94 -45.71 91.74 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.312 -0.867 . . . . 0.0 109.036 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -60.77 -43.37 98.12 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.372 -0.83 . . . . 0.0 109.574 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.99 -42.33 99.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.323 -0.861 . . . . 0.0 109.506 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.1 tp -59.94 -43.44 94.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.164 -0.96 . . . . 0.0 109.242 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.27 -47.62 85.23 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.299 -0.876 . . . . 0.0 109.776 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -60.35 -40.21 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.156 -0.965 . . . . 0.0 109.916 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.18 -42.39 90.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.277 -0.889 . . . . 0.0 108.844 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -62.17 -40.27 95.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.547 -0.72 . . . . 0.0 109.221 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -61.11 -40.05 92.31 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.818 . . . . 0.0 109.397 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.28 -39.98 92.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.084 -1.01 . . . . 0.0 109.511 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.0 -48.78 80.31 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.088 -1.008 . . . . 0.0 109.057 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.61 -43.6 97.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.242 -0.911 . . . . 0.0 109.348 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.78 -41.56 97.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.223 -0.923 . . . . 0.0 109.264 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.12 -40.12 88.61 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.516 -0.74 . . . . 0.0 109.323 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -60.48 -41.14 93.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 109.848 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.545 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 80.5 mt -64.53 -40.48 95.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.106 -0.996 . . . . 0.0 109.369 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 61.3 p -64.29 -40.05 95.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.174 -0.954 . . . . 0.0 109.529 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.3 -40.2 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.264 -0.897 . . . . 0.0 109.472 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -59.95 -42.1 93.3 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.215 -0.928 . . . . 0.0 109.93 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -44.75 96.92 Favored Glycine 0 N--CA 1.486 2.026 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 89.4 m -60.16 -50.01 75.35 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.124 -1.221 . . . . 0.0 109.115 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -62.91 -39.94 96.09 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.263 -0.898 . . . . 0.0 109.19 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.593 HD21 ' NH2' ' B' ' 41' ' ' ARG . 60.3 t-20 -59.99 -40.55 89.58 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.223 -0.923 . . . . 0.0 109.66 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.401 ' O ' HG23 ' B' ' 42' ' ' VAL . 89.2 mt -60.29 -40.05 89.08 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.921 -1.112 . . . . 0.0 108.653 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.02 -41.0 91.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.202 -0.936 . . . . 0.0 109.36 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 46.5 p -60.28 -41.54 93.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.021 -1.049 . . . . 0.0 108.935 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.593 ' NH2' HD21 ' B' ' 37' ' ' ASN . 28.4 mtt-85 -65.68 -40.05 91.95 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 38' ' ' LEU . 58.6 t -60.28 -42.2 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.539 -0.726 . . . . 0.0 109.464 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 51.1 p -60.0 -40.1 88.04 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.03 -1.044 . . . . 0.0 109.24 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.07 96.44 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.6 mt -63.09 -38.43 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.756 -0.59 . . . . 0.0 109.761 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.04 -41.24 91.85 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.29 -46.27 90.44 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.489 -0.757 . . . . 0.0 109.318 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.448 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 46.3 m-85 -63.86 -40.3 96.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.417 -0.802 . . . . 0.0 110.112 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.503 HD23 ' NE2' ' B' ' 52' ' ' GLN . 82.0 mt -60.06 -40.4 89.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.779 -1.2 . . . . 0.0 109.147 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.21 -39.84 91.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.748 -1.22 . . . . 0.0 109.012 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.03 -37.88 81.08 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.438 -0.789 . . . . 0.0 109.291 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.503 ' NE2' HD23 ' B' ' 49' ' ' LEU . 0.0 OUTLIER -59.22 -39.87 84.06 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.122 -0.986 . . . . 0.0 108.417 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.57 ' O ' ' ND2' ' B' ' 56' ' ' ASN . . . -59.42 -35.75 74.58 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.244 -0.91 . . . . 0.0 109.204 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.25 -40.04 84.72 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -79.41 113.57 17.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.914 -1.116 . . . . 0.0 108.677 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' B' ' 53' ' ' ALA . 64.9 m-80 -133.01 -68.79 0.58 Allowed 'General case' 0 N--CA 1.5 2.039 0 CA-C-O 121.571 0.7 . . . . 0.0 109.397 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.54 88.04 1.61 Allowed 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.402 ' C ' ' H ' ' B' ' 60' ' ' ALA . 47.8 m95 -108.73 146.81 32.94 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.497 -0.752 . . . . 0.0 110.428 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.498 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.58 0.61 12.78 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.023 -1.631 . . . . 0.0 109.023 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.442 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -71.89 25.28 0.05 OUTLIER 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.472 -1.017 . . . . 0.0 109.43 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.46 115.31 3.11 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.825 -1.172 . . . . 0.0 109.946 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -112.78 12.44 19.57 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.607 -0.683 . . . . 0.0 110.604 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.555 HH21 HH21 ' C' ' 63' ' ' ARG . 5.9 ptp180 -132.91 25.3 4.3 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -142.61 151.77 41.83 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.7 t -105.38 59.35 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.004 -1.06 . . . . 0.0 108.582 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.12 157.34 40.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.0 110.207 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -129.22 133.49 47.56 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 4.4 t -97.18 119.58 35.94 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.198 -0.939 . . . . 0.0 110.497 -177.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.513 HG23 ' O ' ' B' ' 69' ' ' THR . 6.2 t -117.29 120.63 38.83 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.55 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 93.9 t -125.99 90.73 49.65 Favored Pre-proline 0 N--CA 1.503 2.185 0 O-C-N 121.371 -0.831 . . . . 0.0 109.658 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -85.51 62.43 5.61 Favored 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 122.455 2.104 . . . . 0.0 112.344 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.527 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 54.2 t90 -69.96 129.98 90.38 Favored Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.256 -0.903 . . . . 0.0 108.604 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.527 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 81.4 Cg_exo -40.09 146.71 0.24 Allowed 'Trans proline' 0 N--CA 1.49 1.302 0 C-N-CA 121.114 1.209 . . . . 0.0 111.113 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.5 ' ND2' ' OE1' ' B' ' 52' ' ' GLN . 10.5 t-20 -132.79 9.86 4.25 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.247 -0.908 . . . . 0.0 109.148 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.24 121.39 8.9 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 96.2 p -81.95 105.01 12.72 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.963 -1.086 . . . . 0.0 108.81 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 26.0 mt -82.36 137.18 34.83 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.442 ' OG1' ' CB ' ' B' ' 82' ' ' ASN . 0.0 OUTLIER -88.4 113.26 54.59 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.298 -0.876 . . . . 0.0 109.306 179.472 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -94.97 -47.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 121.664 1.576 . . . . 0.0 113.901 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -123.04 -46.51 2.08 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.285 -0.885 . . . . 0.0 112.932 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.694 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 7.8 p90 -60.4 -56.94 15.37 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.343 -1.473 . . . . 0.0 112.179 -176.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.694 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.5 OUTLIER -79.99 -36.59 35.78 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.461 -1.399 . . . . 0.0 109.618 -179.326 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -59.94 -49.59 77.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.069 -1.019 . . . . 0.0 109.553 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.81 -44.5 96.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.063 -1.023 . . . . 0.0 109.757 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.547 HG23 ' O ' ' B' ' 81' ' ' TRP . 66.8 p -63.34 -40.05 96.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.032 -1.042 . . . . 0.0 109.822 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' TRP . . . . . 0.407 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 47.0 t-105 -61.93 -40.02 94.06 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.064 -1.023 . . . . 0.0 109.576 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.13 -43.12 95.93 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.067 -1.053 . . . . 0.0 108.749 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.15 -42.76 95.6 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.517 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 71.8 t90 -60.05 -49.76 76.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.324 -0.86 . . . . 0.0 109.954 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -64.55 -40.4 95.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 109.486 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -64.24 -40.29 95.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.16 -0.963 . . . . 0.0 110.337 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -59.99 -42.11 93.51 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.823 -1.173 . . . . 0.0 109.145 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.59 -40.44 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.097 -1.002 . . . . 0.0 109.498 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.77 -41.21 95.08 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.106 -0.996 . . . . 0.0 110.514 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -69.9 -40.1 75.84 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.946 -1.096 . . . . 0.0 109.78 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.68 -40.33 92.25 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.153 -0.967 . . . . 0.0 109.617 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.17 -49.13 78.85 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.078 -1.014 . . . . 0.0 109.122 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.31 -43.31 96.47 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.355 -0.841 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -63.27 -40.37 97.21 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.299 -0.876 . . . . 0.0 109.984 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 86.6 mt -66.55 -41.5 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.143 -0.973 . . . . 0.0 109.123 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 24.2 p -61.59 -40.48 94.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.085 -1.009 . . . . 0.0 109.168 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.74 92.32 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.242 -0.911 . . . . 0.0 109.545 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.66 -43.46 98.76 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.186 -0.946 . . . . 0.0 109.913 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.24 -40.13 96.56 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.081 -1.012 . . . . 0.0 108.988 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.37 -42.25 95.44 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.254 -0.904 . . . . 0.0 109.522 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -68.88 -39.99 79.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.081 -1.012 . . . . 0.0 109.233 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.97 97.82 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.375 -0.828 . . . . 0.0 109.501 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.16 -48.09 83.19 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.174 -0.954 . . . . 0.0 109.149 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.19 -49.34 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.113 -0.992 . . . . 0.0 109.254 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 57.1 tp60 -64.13 -40.47 96.25 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.372 -0.83 . . . . 0.0 109.956 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.24 -50.0 75.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.018 -1.051 . . . . 0.0 109.413 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.59 -40.97 96.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.336 -0.853 . . . . 0.0 109.607 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -64.56 -40.09 94.94 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.276 -0.89 . . . . 0.0 109.944 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -68.02 -40.59 82.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.022 -1.049 . . . . 0.0 109.606 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -69.72 -40.36 76.3 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.206 -0.934 . . . . 0.0 108.906 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 116' ' ' TYR . . . . . 0.581 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 64.9 t80 -59.76 -49.28 78.35 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.624 -0.672 . . . . 0.0 109.409 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.72 -40.31 91.85 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.167 -0.958 . . . . 0.0 109.69 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.04 -42.89 95.43 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.285 -0.885 . . . . 0.0 110.062 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.6 mt-30 -61.18 -40.21 93.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.048 -1.032 . . . . 0.0 110.067 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 120' ' ' LYS . . . . . 0.581 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.2 mmtm -60.03 -39.3 85.42 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.014 -1.054 . . . . 0.0 109.398 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 98.9 mt -58.21 -46.94 84.95 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -124.12 60.48 1.13 Allowed 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.465 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.8 p . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.093 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 1' ' ' ALA . . . . . 0.553 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 2' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 48.5 mt-30 -69.78 144.28 52.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.262 -0.899 . . . . 0.0 109.626 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -89.37 60.61 5.32 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 0.0 108.772 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -63.39 -39.97 95.95 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.323 -0.861 . . . . 0.0 109.006 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.549 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.8 t -61.68 -45.01 95.81 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.557 -0.714 . . . . 0.0 109.829 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.549 ' N ' HG23 ' C' ' 5' ' ' THR . 55.5 tp -60.46 -41.74 94.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.116 -0.99 . . . . 0.0 109.102 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 59.6 mt -61.17 -39.85 91.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.45 -0.781 . . . . 0.0 109.827 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.02 87.41 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.17 -47.8 50.68 Favored Glycine 0 N--CA 1.486 2.026 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.14 -47.52 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.268 -1.137 . . . . 0.0 109.604 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.12 -41.26 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.265 -0.897 . . . . 0.0 108.974 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -60.11 -40.12 88.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.621 -0.674 . . . . 0.0 109.436 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -60.16 -41.53 93.02 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.354 -0.841 . . . . 0.0 109.419 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -61.24 -40.91 95.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.081 -1.012 . . . . 0.0 109.182 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -60.25 -45.26 93.87 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.38 -0.825 . . . . 0.0 108.857 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -61.53 -42.56 99.0 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.342 -0.849 . . . . 0.0 109.491 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.56 -42.01 99.27 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.143 -0.973 . . . . 0.0 109.463 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.2 -43.27 96.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.129 -0.982 . . . . 0.0 109.097 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.11 -47.91 83.93 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.394 -0.816 . . . . 0.0 109.752 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -60.16 -40.53 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.254 -0.903 . . . . 0.0 109.754 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.27 -42.09 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.029 -1.044 . . . . 0.0 108.767 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -62.18 -40.45 96.08 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 30.2 mmt180 -60.79 -40.34 92.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.0 109.306 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.59 -40.33 91.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.008 -1.057 . . . . 0.0 109.757 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.04 -48.89 79.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.192 -0.942 . . . . 0.0 108.985 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.41 -43.34 96.81 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.203 -0.936 . . . . 0.0 109.516 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.0 tp -62.54 -40.95 98.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.162 -0.961 . . . . 0.0 109.181 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.16 -40.23 89.19 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.465 -0.772 . . . . 0.0 109.231 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -60.35 -41.83 94.49 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.276 -0.89 . . . . 0.0 109.714 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.547 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 79.7 mt -63.9 -40.57 96.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.139 -0.975 . . . . 0.0 109.215 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 59.2 p -64.05 -40.02 95.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.139 -0.975 . . . . 0.0 109.66 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.41 -40.09 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.444 -0.785 . . . . 0.0 109.643 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -60.09 -41.87 93.42 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.339 -0.85 . . . . 0.0 109.807 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.26 -44.69 97.22 Favored Glycine 0 N--CA 1.487 2.053 0 C-N-CA 119.351 -1.405 . . . . 0.0 109.681 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 85.5 m -60.02 -49.94 75.69 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.153 -1.204 . . . . 0.0 109.269 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -63.07 -39.82 95.84 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.213 -0.93 . . . . 0.0 109.054 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.567 HD21 ' NH2' ' C' ' 41' ' ' ARG . 60.4 t-20 -60.12 -40.57 90.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.279 -0.888 . . . . 0.0 109.641 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.36 -39.9 88.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.07 -1.019 . . . . 0.0 108.701 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.06 -40.76 90.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 109.428 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 44.7 p -60.91 -41.33 95.91 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.897 -1.127 . . . . 0.0 108.857 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.567 ' NH2' HD21 ' C' ' 37' ' ' ASN . 28.9 mtt-85 -65.56 -39.99 92.32 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.54 -42.12 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.53 -0.731 . . . . 0.0 109.487 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 48.2 p -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.876 -1.14 . . . . 0.0 109.059 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.49 97.39 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.75 -39.04 83.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.712 -0.617 . . . . 0.0 109.781 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.91 -41.18 91.12 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.35 -45.91 91.8 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.163 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.45 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 45.8 m-85 -64.27 -40.02 95.11 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.554 -0.716 . . . . 0.0 110.229 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 49' ' ' LEU . . . . . 0.494 HD23 ' NE2' ' C' ' 52' ' ' GLN . 83.6 mt -60.04 -41.43 92.23 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.655 -1.278 . . . . 0.0 109.166 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -60.23 -39.98 88.6 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.751 -1.218 . . . . 0.0 109.206 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.97 -37.74 80.49 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.437 -0.79 . . . . 0.0 109.168 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.519 ' OE1' ' ND2' ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.71 -39.43 84.6 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.035 -1.041 . . . . 0.0 108.504 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 53' ' ' ALA . . . . . 0.566 ' O ' ' ND2' ' C' ' 56' ' ' ASN . . . -60.02 -35.67 75.58 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.176 -0.952 . . . . 0.0 108.998 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.15 -39.92 83.94 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.357 -0.84 . . . . 0.0 108.957 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 85.8 mt -79.53 113.7 17.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.871 -1.143 . . . . 0.0 108.627 178.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.566 ' ND2' ' O ' ' C' ' 53' ' ' ALA . 65.2 m-80 -133.15 -68.69 0.58 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.465 -0.772 . . . . 0.0 109.217 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.64 88.01 1.6 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -108.52 146.99 32.37 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.489 -0.757 . . . . 0.0 110.472 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.86 0.69 14.71 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.479 ' HA ' ' HB1' ' A' ' 60' ' ' ALA . . . -72.27 25.51 0.05 Allowed 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.526 -0.985 . . . . 0.0 109.622 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.491 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.62 115.64 3.11 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.037 -1.04 . . . . 0.0 109.969 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -112.85 12.54 19.5 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.658 -0.651 . . . . 0.0 110.503 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 63' ' ' ARG . . . . . 0.62 HH21 HH21 ' A' ' 63' ' ' ARG . 5.8 ptp180 -133.17 24.98 4.21 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -142.04 151.89 42.85 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 t -105.52 59.15 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.133 -0.979 . . . . 0.0 108.726 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.27 157.58 40.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.341 -0.849 . . . . 0.0 110.079 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -129.4 133.26 47.28 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -96.61 119.4 35.02 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.218 -0.926 . . . . 0.0 110.636 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.498 HG23 ' O ' ' C' ' 69' ' ' THR . 6.3 t -117.01 120.46 38.45 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.559 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 87.5 t -126.04 90.83 49.41 Favored Pre-proline 0 N--CA 1.503 2.203 0 O-C-N 121.244 -0.91 . . . . 0.0 109.489 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -85.72 62.59 5.45 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.569 2.18 . . . . 0.0 112.177 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.518 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 52.7 t90 -69.98 130.05 90.28 Favored Pre-proline 0 N--CA 1.492 1.662 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.518 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 82.6 Cg_exo -40.55 146.88 0.27 Allowed 'Trans proline' 0 N--CA 1.489 1.213 0 C-N-CA 120.976 1.118 . . . . 0.0 111.213 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.519 ' ND2' ' OE1' ' C' ' 52' ' ' GLN . 10.7 t-20 -132.9 10.07 4.22 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.307 -0.871 . . . . 0.0 109.135 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.38 121.54 8.92 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 94.3 p -82.09 105.19 12.99 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.814 -1.178 . . . . 0.0 108.724 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 25.3 mt -82.51 137.48 34.61 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.446 ' OG1' ' CB ' ' C' ' 82' ' ' ASN . 0.0 OUTLIER -88.43 113.13 54.04 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.315 -0.866 . . . . 0.0 109.522 179.274 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -95.11 -47.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.005 0 C-N-CA 121.618 1.545 . . . . 0.0 113.967 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -122.78 -46.72 2.1 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.309 -0.869 . . . . 0.0 112.911 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.697 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 8.0 p90 -60.35 -56.62 19.21 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.314 -1.491 . . . . 0.0 112.276 -176.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.697 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.5 OUTLIER -80.19 -36.47 34.89 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.406 -1.434 . . . . 0.0 109.507 -179.18 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.01 -49.61 77.0 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.949 -1.095 . . . . 0.0 109.644 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.98 -44.39 97.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.051 -1.031 . . . . 0.0 109.669 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.555 HG23 ' O ' ' C' ' 81' ' ' TRP . 67.8 p -63.65 -40.05 95.89 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.255 -0.978 . . . . 0.0 109.925 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 86' ' ' TRP . . . . . 0.404 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 47.4 t-105 -61.86 -40.08 94.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.117 -0.989 . . . . 0.0 109.57 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.16 -42.68 95.43 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.81 -1.181 . . . . 0.0 108.783 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.02 -42.92 95.37 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.545 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 71.7 t90 -60.11 -49.83 76.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.565 -0.709 . . . . 0.0 109.86 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.41 -40.11 95.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.146 -0.971 . . . . 0.0 109.536 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -65.18 -40.03 93.69 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.219 -0.926 . . . . 0.0 110.217 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -59.96 -42.05 93.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.8 -1.188 . . . . 0.0 109.093 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.64 -40.5 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.983 -1.073 . . . . 0.0 109.522 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.41 -41.39 93.83 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.108 -0.995 . . . . 0.0 110.663 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -70.04 -40.05 75.38 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.024 -1.048 . . . . 0.0 109.571 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 98.0 mt -65.57 -40.84 93.24 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.177 -0.952 . . . . 0.0 109.478 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.1 -48.96 79.55 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.087 -1.008 . . . . 0.0 109.194 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.34 -43.11 96.76 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.268 -0.895 . . . . 0.0 109.395 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -63.17 -40.82 98.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.328 -0.858 . . . . 0.0 109.828 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 88.8 mt -65.88 -42.09 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 120.943 -1.098 . . . . 0.0 109.228 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 24.9 p -61.27 -40.8 95.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.042 -1.036 . . . . 0.0 109.293 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.16 -46.47 90.39 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.359 -0.838 . . . . 0.0 109.669 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.41 -44.02 97.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.277 -0.889 . . . . 0.0 109.819 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.55 -40.12 95.79 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.155 -0.966 . . . . 0.0 109.021 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.57 -42.02 95.78 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.362 -0.836 . . . . 0.0 109.663 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.25 -40.04 78.09 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.3 -0.875 . . . . 0.0 109.183 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.74 98.27 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.262 -0.899 . . . . 0.0 109.743 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.22 -48.1 83.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.195 -0.941 . . . . 0.0 108.97 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.15 -50.04 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.255 -0.903 . . . . 0.0 109.069 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 56.3 tp60 -63.39 -40.84 98.32 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.278 -0.889 . . . . 0.0 109.939 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.08 -49.97 75.54 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.015 -1.053 . . . . 0.0 109.202 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -61.62 -41.04 96.92 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.282 -0.886 . . . . 0.0 109.726 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -64.63 -40.05 94.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.15 -0.969 . . . . 0.0 109.787 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -68.04 -40.63 82.82 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.027 -1.045 . . . . 0.0 109.387 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.48 -40.18 77.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.056 -1.028 . . . . 0.0 108.877 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 116' ' ' TYR . . . . . 0.569 ' CZ ' ' NZ ' ' C' ' 120' ' ' LYS . 65.5 t80 -59.98 -48.63 80.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.622 -0.674 . . . . 0.0 109.61 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.27 -40.26 93.42 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.136 -0.978 . . . . 0.0 109.512 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.94 -43.44 94.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.851 . . . . 0.0 109.995 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.6 mt-30 -60.89 -40.15 91.98 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.045 -1.034 . . . . 0.0 110.243 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 120' ' ' LYS . . . . . 0.569 ' NZ ' ' CZ ' ' C' ' 116' ' ' TYR . 39.5 mmtm -60.0 -38.85 83.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.089 -1.007 . . . . 0.0 109.657 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 98.5 mt -58.5 -46.98 85.61 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -124.41 60.65 1.15 Allowed 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.473 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.9 p . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.088 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.288 0.566 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.29 144.38 51.76 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.309 -0.869 . . . . 0.0 109.32 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -90.41 59.6 4.39 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.113 -0.992 . . . . 0.0 109.624 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -63.56 -39.95 95.72 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.9 t -59.99 -42.75 94.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.3 -0.875 . . . . 0.0 109.706 -179.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.497 ' N ' HG23 ' A' ' 5' ' ' THR . 64.6 tp -60.02 -41.55 92.43 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.7 -38.49 91.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.695 -0.628 . . . . 0.0 109.468 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.02 87.4 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.12 -0.988 . . . . 0.0 108.677 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.8 -45.22 59.08 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.8 mt -60.0 -48.35 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.308 -1.113 . . . . 0.0 109.876 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.0 -43.89 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.09 -1.006 . . . . 0.0 109.492 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.19 -39.98 96.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.335 -0.853 . . . . 0.0 109.993 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -59.96 -40.7 89.94 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.162 -0.961 . . . . 0.0 109.111 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -61.84 -40.29 94.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.05 -1.031 . . . . 0.0 109.405 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -59.89 -46.11 90.39 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.367 -0.833 . . . . 0.0 109.402 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -59.94 -43.74 94.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.378 -0.826 . . . . 0.0 109.453 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.8 mt -60.88 -42.19 97.44 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.334 -0.853 . . . . 0.0 109.085 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.463 HD11 HD23 ' A' ' 104' ' ' LEU . 47.1 tp -60.86 -43.74 97.97 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.331 -0.856 . . . . 0.0 108.818 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.404 ' OD1' ' NE ' ' A' ' 23' ' ' ARG . 7.4 t0 -60.03 -47.43 85.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.194 -0.942 . . . . 0.0 109.825 -179.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.7 -41.87 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.042 -1.036 . . . . 0.0 109.046 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.06 -46.07 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.435 -0.791 . . . . 0.0 109.153 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.92 -41.75 92.43 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' A' ' 23' ' ' ARG . 53.9 mtt-85 -60.55 -39.97 89.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.297 -0.877 . . . . 0.0 109.58 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.68 -39.99 90.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.154 -0.966 . . . . 0.0 109.401 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -60.06 -46.84 88.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.126 -0.984 . . . . 0.0 109.06 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.57 -40.1 88.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.191 -0.943 . . . . 0.0 109.269 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.3 -40.56 97.68 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.206 -0.934 . . . . 0.0 109.462 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.41 HD13 HD23 ' C' ' 27' ' ' LEU . 28.6 mt -60.27 -40.28 89.79 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.328 -0.857 . . . . 0.0 109.694 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.91 -40.11 91.91 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.126 -0.984 . . . . 0.0 109.329 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.57 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 96.5 mt -61.92 -41.02 97.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.164 -0.96 . . . . 0.0 109.763 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.4 p -66.67 -40.05 88.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.092 -1.005 . . . . 0.0 109.676 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.59 -40.04 83.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.433 -0.792 . . . . 0.0 109.177 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -59.96 -43.91 94.76 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.204 -0.935 . . . . 0.0 109.724 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -47.75 89.49 Favored Glycine 0 N--CA 1.486 2.03 0 C-N-CA 119.273 -1.441 . . . . 0.0 109.829 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.04 -49.98 75.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.992 -1.299 . . . . 0.0 110.074 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.28 -40.02 94.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.111 -0.993 . . . . 0.0 109.752 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.663 HD21 HH21 ' A' ' 41' ' ' ARG . 54.6 t-20 -60.08 -40.58 90.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.291 -0.881 . . . . 0.0 109.784 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.29 -40.0 94.83 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.122 -0.986 . . . . 0.0 109.967 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.05 -41.68 92.86 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.042 -1.036 . . . . 0.0 109.394 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.6 p -60.22 -40.04 88.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.957 -1.089 . . . . 0.0 108.858 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.663 HH21 HD21 ' A' ' 37' ' ' ASN . 34.0 mtt-85 -67.21 -39.98 86.36 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.03 -42.58 90.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.341 -0.849 . . . . 0.0 109.189 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.8 p -60.01 -40.13 88.23 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.089 -1.007 . . . . 0.0 109.866 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.51 95.97 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.098 -1.001 . . . . 0.0 108.486 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.5 mt -60.85 -39.44 81.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.696 -0.627 . . . . 0.0 109.683 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -60.06 -40.53 89.78 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.174 -0.954 . . . . 0.0 109.038 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -60.13 -46.48 89.5 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.486 -0.759 . . . . 0.0 109.675 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 61.5 m-85 -65.62 -38.18 88.71 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.19 -0.944 . . . . 0.0 109.816 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.92 -40.04 87.51 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.976 -1.078 . . . . 0.0 108.782 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -59.98 -40.02 87.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.85 -1.156 . . . . 0.0 107.98 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -59.9 -40.07 87.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.392 -0.817 . . . . 0.0 108.844 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.495 ' OE1' ' N ' ' A' ' 53' ' ' ALA . 4.9 tm0? -59.87 -40.06 87.39 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.086 -1.009 . . . . 0.0 109.015 179.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.495 ' N ' ' OE1' ' A' ' 52' ' ' GLN . . . -60.01 -33.93 72.67 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.074 -1.016 . . . . 0.0 108.769 179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -59.13 -40.06 84.29 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.4 mt -77.19 116.83 18.15 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -131.67 -70.05 0.59 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.249 -0.907 . . . . 0.0 109.925 -179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.12 87.67 1.62 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 0.0 108.841 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.432 ' CD1' ' N ' ' A' ' 58' ' ' TRP . 35.4 m95 -101.29 125.68 47.95 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.682 -0.636 . . . . 0.0 109.653 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 112.72 -5.16 26.06 Favored Glycine 0 N--CA 1.501 2.985 0 O-C-N 121.215 -0.928 . . . . 0.0 112.491 177.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.56 25.6 0.25 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.061 -1.846 . . . . 0.0 108.88 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.533 ' O ' ' CE1' ' B' ' 62' ' ' PHE . . . -93.46 101.58 13.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.499 -0.751 . . . . 0.0 109.751 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.534 ' CE1' ' O ' ' C' ' 61' ' ' ALA . 13.3 m-85 -106.85 7.18 30.02 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.912 -1.118 . . . . 0.0 109.235 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -158.87 24.95 0.22 Allowed 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -143.28 151.2 40.27 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.446 -0.784 . . . . 0.0 109.954 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.6 t -110.8 57.6 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 177.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.39 159.85 44.05 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.747 -0.596 . . . . 0.0 109.699 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -120.81 133.79 55.31 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.64 -0.662 . . . . 0.0 109.223 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 68' ' ' THR . 8.2 t -94.86 119.8 34.02 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.222 -0.924 . . . . 0.0 110.117 -178.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.544 HG23 ' O ' ' A' ' 69' ' ' THR . 9.4 t -112.37 121.47 44.95 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 47.0 t -119.43 97.51 50.19 Favored Pre-proline 0 N--CA 1.499 1.983 0 O-C-N 121.441 -0.787 . . . . 0.0 109.45 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -81.35 66.73 8.65 Favored 'Trans proline' 0 N--CA 1.49 1.271 0 C-N-CA 122.157 1.905 . . . . 0.0 112.184 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.456 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 19.6 t90 -69.2 129.44 91.95 Favored Pre-proline 0 N--CA 1.49 1.547 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -38.04 148.9 0.08 OUTLIER 'Trans proline' 0 N--CA 1.488 1.204 0 C-N-CA 121.507 1.471 . . . . 0.0 111.543 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.488 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 17.2 t-20 -128.28 -59.16 1.18 Allowed 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.06 125.19 34.44 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.8 p -80.24 109.98 15.23 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 118.854 -1.139 . . . . 0.0 108.229 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.3 mt -79.7 137.12 36.96 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.81 0.814 . . . . 0.0 110.075 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 78' ' ' THR . 5.2 t -87.68 114.75 60.39 Favored Pre-proline 0 N--CA 1.491 1.597 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -91.27 -47.42 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.133 0 C-N-CA 121.699 1.599 . . . . 0.0 114.058 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -121.61 -44.34 2.34 Favored 'General case' 0 N--CA 1.504 2.233 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -177.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.3 p90 -59.98 -50.13 74.96 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.321 -1.487 . . . . 0.0 112.418 -175.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.623 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.9 t30 -72.45 -43.44 63.75 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.151 -1.593 . . . . 0.0 110.368 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -60.0 -49.74 76.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.007 -1.058 . . . . 0.0 110.841 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.01 -42.21 94.65 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.697 -1.252 . . . . 0.0 109.746 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 81' ' ' TRP . 74.6 p -70.05 -40.0 75.38 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.23 -0.919 . . . . 0.0 109.585 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.2 t-105 -67.94 -39.91 83.39 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.292 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -60.07 -40.39 89.36 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.664 -1.273 . . . . 0.0 108.238 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.02 -40.08 94.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.986 -1.071 . . . . 0.0 108.524 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.549 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 74.6 t90 -59.91 -49.84 76.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.513 -0.742 . . . . 0.0 110.109 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -64.56 -40.91 96.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.155 -0.966 . . . . 0.0 109.81 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -61.94 -42.18 98.82 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.967 -1.083 . . . . 0.0 110.377 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -60.05 -43.22 95.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.772 -1.205 . . . . 0.0 109.525 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.56 -42.3 91.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.267 -0.896 . . . . 0.0 109.42 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.2 -40.06 88.72 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.3 -0.875 . . . . 0.0 111.118 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -69.07 -40.0 78.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.791 -1.193 . . . . 0.0 109.39 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.49 -39.96 85.21 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.203 -0.936 . . . . 0.0 109.889 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 101' ' ' THR . 96.8 mt-10 -67.22 -40.03 86.35 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.789 -1.195 . . . . 0.0 109.851 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -68.15 -39.92 82.54 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.186 -0.946 . . . . 0.0 109.575 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -68.05 -40.04 82.88 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.37 -0.831 . . . . 0.0 109.741 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.16 -40.87 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.139 -0.976 . . . . 0.0 109.667 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 97' ' ' GLU . 41.1 p -64.08 -40.54 96.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.038 -1.039 . . . . 0.0 109.361 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -49.15 78.7 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.301 -0.874 . . . . 0.0 109.735 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.09 -41.66 99.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.102 -0.999 . . . . 0.0 109.823 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.463 HD23 HD11 ' A' ' 18' ' ' LEU . 84.7 mt -61.38 -41.28 96.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.091 -1.006 . . . . 0.0 109.618 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -64.59 -42.94 95.25 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.104 -0.998 . . . . 0.0 109.193 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.14 -40.46 96.22 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.41 -0.807 . . . . 0.0 109.755 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.24 95.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.32 -0.862 . . . . 0.0 109.687 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -59.92 -49.96 75.64 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.188 -0.945 . . . . 0.0 109.637 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.12 -47.12 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.307 -0.871 . . . . 0.0 109.245 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -69.46 -40.1 77.34 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.494 -0.754 . . . . 0.0 110.578 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -59.97 -45.95 91.03 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.952 -1.092 . . . . 0.0 109.679 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.87 -39.99 95.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.104 -0.997 . . . . 0.0 109.506 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -65.65 -40.01 92.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.239 -0.913 . . . . 0.0 109.83 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -60.06 -41.42 92.32 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.008 -1.057 . . . . 0.0 109.649 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' A' ' 115' ' ' MET . 12.4 tmm? -70.03 -40.56 75.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.972 -1.08 . . . . 0.0 109.137 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -62.02 -44.45 96.68 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.392 -0.817 . . . . 0.0 109.184 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.36 -39.96 89.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.369 -0.832 . . . . 0.0 109.202 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.01 -40.92 90.92 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.38 -39.86 95.67 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.374 -0.829 . . . . 0.0 109.626 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -59.51 -34.4 72.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.93 . . . . 0.0 109.58 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 121' ' ' LEU . 87.6 mt -57.44 -48.87 78.02 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.077 -1.049 . . . . 0.0 108.5 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -143.71 65.83 1.3 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.145 -0.972 . . . . 0.0 109.88 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.037 179.357 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.43 144.52 51.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.335 -0.853 . . . . 0.0 109.309 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -90.46 59.57 4.36 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.235 -0.916 . . . . 0.0 109.649 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -63.7 -39.94 95.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.157 -0.964 . . . . 0.0 108.704 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.514 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.9 t -60.0 -42.81 95.06 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.36 -0.838 . . . . 0.0 109.777 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.514 ' N ' HG23 ' B' ' 5' ' ' THR . 64.0 tp -60.02 -41.47 92.25 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.77 -38.45 91.02 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.96 87.85 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.155 -0.965 . . . . 0.0 108.594 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.78 -45.23 59.13 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 93.3 mt -59.97 -48.38 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.32 -1.106 . . . . 0.0 109.788 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.95 -44.11 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.03 -1.044 . . . . 0.0 109.355 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -62.97 -39.98 96.32 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.299 -0.876 . . . . 0.0 110.028 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -60.02 -40.67 90.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.128 -0.983 . . . . 0.0 109.146 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -61.89 -40.31 94.96 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.134 -0.979 . . . . 0.0 109.373 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -59.96 -45.94 91.02 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.266 -0.896 . . . . 0.0 109.444 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.02 -43.77 95.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.42 -0.8 . . . . 0.0 109.516 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.71 -42.62 97.61 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.187 -0.946 . . . . 0.0 109.018 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.462 HD11 HD23 ' B' ' 104' ' ' LEU . 46.1 tp -60.49 -43.64 96.81 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.417 -0.802 . . . . 0.0 108.952 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -60.02 -47.42 85.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.264 -0.898 . . . . 0.0 109.873 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.01 -41.76 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.999 -1.063 . . . . 0.0 109.021 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -46.01 94.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.428 -0.795 . . . . 0.0 109.091 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.06 -41.76 93.03 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.422 HH11 ' HG2' ' B' ' 23' ' ' ARG . 53.7 mtt-85 -60.49 -39.98 89.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -0.85 . . . . 0.0 109.545 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.67 -40.0 90.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.185 -0.947 . . . . 0.0 109.444 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -59.95 -46.63 88.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.108 -0.995 . . . . 0.0 109.233 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.81 -39.99 87.92 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.142 -0.974 . . . . 0.0 109.342 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.43 -40.19 96.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.311 -0.868 . . . . 0.0 109.474 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 mt -60.56 -40.5 91.83 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.402 -0.811 . . . . 0.0 109.616 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.74 -40.18 91.43 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.094 -1.004 . . . . 0.0 109.354 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.555 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 97.2 mt -61.88 -40.99 97.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.227 -0.921 . . . . 0.0 109.712 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.8 p -66.84 -40.06 87.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.148 -0.97 . . . . 0.0 109.679 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -60.5 -40.1 83.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.309 -0.869 . . . . 0.0 109.076 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -59.98 -43.95 94.8 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.243 -0.91 . . . . 0.0 109.724 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -47.51 90.68 Favored Glycine 0 N--CA 1.488 2.137 0 C-N-CA 119.364 -1.398 . . . . 0.0 109.832 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.17 -50.02 75.32 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.021 -1.282 . . . . 0.0 110.158 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.27 -39.98 94.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.015 -1.053 . . . . 0.0 109.689 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.644 HD21 HH21 ' B' ' 41' ' ' ARG . 54.5 t-20 -60.07 -40.87 91.0 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.272 -0.892 . . . . 0.0 109.685 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 85.7 mt -62.17 -39.86 94.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.087 -1.008 . . . . 0.0 110.0 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.04 -41.59 92.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.057 -1.027 . . . . 0.0 109.46 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 69.3 p -60.2 -40.16 89.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.977 -1.077 . . . . 0.0 108.859 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.644 HH21 HD21 ' B' ' 37' ' ' ASN . 34.4 mtt-85 -67.1 -40.1 86.84 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -42.67 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.3 -0.875 . . . . 0.0 109.131 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 70.6 p -60.05 -40.29 88.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.068 -1.02 . . . . 0.0 109.763 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.27 -42.29 95.07 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.114 -0.991 . . . . 0.0 108.575 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.05 -39.39 82.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.774 -0.579 . . . . 0.0 109.67 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.98 -40.71 90.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.138 -0.976 . . . . 0.0 108.988 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.06 -46.9 88.02 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.414 -0.803 . . . . 0.0 109.602 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.505 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 61.4 m-85 -65.12 -38.33 90.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.261 -0.9 . . . . 0.0 109.887 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 49.1 mt -59.96 -40.02 87.6 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.846 -1.159 . . . . 0.0 108.842 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -60.06 -39.93 87.72 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.504 ' OE1' ' N ' ' B' ' 53' ' ' ALA . 4.9 tm0? -59.96 -40.02 87.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.153 -0.967 . . . . 0.0 108.941 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.504 ' N ' ' OE1' ' B' ' 52' ' ' GLN . . . -60.04 -33.93 72.69 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.99 -1.069 . . . . 0.0 108.823 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -59.14 -40.04 84.25 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 78.0 mt -77.18 116.83 18.14 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 17.7 m120 -131.71 -69.99 0.59 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.236 -0.915 . . . . 0.0 109.888 -179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.22 87.89 1.62 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.259 -0.9 . . . . 0.0 108.953 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.429 ' CD1' ' N ' ' B' ' 58' ' ' TRP . 35.5 m95 -101.67 125.75 48.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.776 -0.578 . . . . 0.0 109.608 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 112.63 -5.04 26.2 Favored Glycine 0 N--CA 1.501 2.981 0 O-C-N 121.307 -0.871 . . . . 0.0 112.454 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.36 25.32 0.24 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.049 -1.853 . . . . 0.0 108.989 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.545 ' O ' ' CE1' ' C' ' 62' ' ' PHE . . . -93.26 101.76 14.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.506 -0.746 . . . . 0.0 109.819 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 13.3 m-85 -107.06 7.28 29.65 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.889 -1.132 . . . . 0.0 109.238 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -158.89 24.84 0.21 Allowed 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -143.11 151.53 40.83 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.413 -0.805 . . . . 0.0 109.927 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.6 t -110.98 57.73 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 177.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.48 160.02 43.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.725 -0.609 . . . . 0.0 109.579 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -121.02 133.79 55.27 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.537 HG23 ' O ' ' B' ' 68' ' ' THR . 8.1 t -94.81 119.75 33.91 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.201 -0.937 . . . . 0.0 110.015 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.545 HG23 ' O ' ' B' ' 69' ' ' THR . 9.6 t -112.33 121.67 45.54 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 47.1 t -119.44 97.65 50.17 Favored Pre-proline 0 N--CA 1.501 2.083 0 O-C-N 121.466 -0.771 . . . . 0.0 109.493 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -81.58 66.84 8.53 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 122.126 1.884 . . . . 0.0 112.054 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.445 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 19.7 t90 -69.3 129.49 91.78 Favored Pre-proline 0 N--CA 1.49 1.571 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' B' ' 72' ' ' TRP . 68.1 Cg_exo -38.11 149.01 0.08 OUTLIER 'Trans proline' 0 N--CA 1.487 1.138 0 C-N-CA 121.469 1.446 . . . . 0.0 111.562 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 17.3 t-20 -128.36 -59.4 1.16 Allowed 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.7 125.47 34.42 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 17.8 p -80.4 110.02 15.46 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.848 -1.157 . . . . 0.0 108.056 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.6 mt -79.72 137.21 36.97 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-O 121.797 0.808 . . . . 0.0 109.937 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.538 HG23 ' O ' ' B' ' 78' ' ' THR . 5.2 t -87.51 115.02 61.48 Favored Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -91.25 -47.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.111 0 C-N-CA 121.755 1.637 . . . . 0.0 114.08 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -121.62 -44.18 2.35 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.2 p90 -59.94 -50.05 75.28 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.21 -1.556 . . . . 0.0 112.503 -175.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.623 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.7 t30 -72.49 -43.53 63.51 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.156 -1.59 . . . . 0.0 110.349 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -59.92 -49.79 76.32 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.08 -1.012 . . . . 0.0 110.836 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.01 -42.01 94.85 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.729 -1.232 . . . . 0.0 109.781 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.441 HG23 ' O ' ' B' ' 81' ' ' TRP . 73.7 p -70.2 -40.03 74.82 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.29 -0.881 . . . . 0.0 109.556 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -67.83 -39.98 83.8 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 119.065 -1.054 . . . . 0.0 109.314 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -59.95 -40.39 88.82 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.617 -1.302 . . . . 0.0 108.343 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -65.18 -40.09 93.78 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.982 -1.074 . . . . 0.0 108.439 178.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.57 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 74.4 t90 -59.9 -50.06 75.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.512 -0.743 . . . . 0.0 110.043 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.35 -40.73 96.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.026 -1.046 . . . . 0.0 109.863 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 54.2 mtt-85 -62.04 -42.06 98.77 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.963 -1.086 . . . . 0.0 110.352 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -60.08 -42.88 95.56 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.854 -1.154 . . . . 0.0 109.542 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.14 -41.85 90.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.344 -0.848 . . . . 0.0 109.361 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.5 -40.16 90.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.301 -0.874 . . . . 0.0 110.987 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -68.93 -39.95 79.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.726 -1.234 . . . . 0.0 109.417 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.54 -39.96 84.99 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.149 -0.97 . . . . 0.0 109.99 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' GLU . . . . . 0.426 ' O ' HG23 ' B' ' 101' ' ' THR . 96.8 mt-10 -67.23 -39.99 86.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.891 -1.131 . . . . 0.0 109.774 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.2 -39.94 82.29 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.226 -0.921 . . . . 0.0 109.554 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -68.21 -39.91 82.25 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.335 -0.853 . . . . 0.0 109.792 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 85.6 mt -66.16 -40.93 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.063 -1.023 . . . . 0.0 109.635 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 101' ' ' THR . . . . . 0.426 HG23 ' O ' ' B' ' 97' ' ' GLU . 40.7 p -63.85 -40.78 97.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.914 -1.116 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.35 -49.17 78.65 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.354 -0.841 . . . . 0.0 109.829 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.26 -41.51 99.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.127 -0.983 . . . . 0.0 109.814 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' LEU . . . . . 0.462 HD23 HD11 ' B' ' 18' ' ' LEU . 84.4 mt -61.48 -41.03 96.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.037 -1.039 . . . . 0.0 109.571 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -64.93 -42.48 94.65 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.146 -0.971 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.61 -40.36 95.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.404 -0.81 . . . . 0.0 109.742 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.4 96.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.309 -0.87 . . . . 0.0 109.59 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -59.94 -49.95 75.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.147 -0.971 . . . . 0.0 109.654 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.05 -47.21 92.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 O-C-N 121.323 -0.861 . . . . 0.0 109.248 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -69.42 -39.98 77.54 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.558 -0.714 . . . . 0.0 110.597 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -59.98 -46.02 90.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.922 -1.111 . . . . 0.0 109.645 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.83 -40.1 95.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 109.453 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -65.66 -40.02 92.0 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.105 -0.997 . . . . 0.0 109.776 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -60.01 -41.35 91.94 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.041 -1.037 . . . . 0.0 109.7 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 115' ' ' MET . . . . . 0.431 ' C ' ' SD ' ' B' ' 115' ' ' MET . 12.4 tmm? -70.12 -40.79 74.64 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.989 -1.069 . . . . 0.0 109.047 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -61.77 -44.49 96.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.308 -0.87 . . . . 0.0 109.293 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.27 -39.93 88.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.348 -0.845 . . . . 0.0 109.152 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 13.5 tp -60.05 -40.89 90.97 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.7 mt-30 -63.41 -39.86 95.63 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.459 -0.776 . . . . 0.0 109.642 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -59.46 -34.32 72.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 0.0 109.589 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.51 -48.95 77.87 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.925 -1.109 . . . . 0.0 108.438 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -143.64 65.79 1.31 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.189 -0.944 . . . . 0.0 109.912 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.403 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.7 t . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.12 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.43 144.43 51.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.269 -0.894 . . . . 0.0 109.282 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -90.33 59.42 4.37 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.258 -0.901 . . . . 0.0 109.646 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -63.54 -39.89 95.58 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.236 -0.915 . . . . 0.0 108.736 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.5 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.9 t -60.09 -42.77 95.37 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.337 -0.852 . . . . 0.0 109.824 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.5 ' N ' HG23 ' C' ' 5' ' ' THR . 64.3 tp -59.99 -41.78 92.77 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.44 -38.58 91.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.767 -0.583 . . . . 0.0 109.495 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.081 -1.012 . . . . 0.0 108.6 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.71 -45.28 59.34 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.05 -48.41 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -1.112 . . . . 0.0 109.86 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.99 -43.72 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.001 -1.062 . . . . 0.0 109.428 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.23 -40.05 96.36 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.242 -0.911 . . . . 0.0 109.839 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -59.98 -40.73 90.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 0.0 109.103 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -61.83 -40.29 94.76 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.005 -1.059 . . . . 0.0 109.384 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -60.0 -45.93 91.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.234 -0.916 . . . . 0.0 109.392 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.03 -43.36 95.37 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.253 -0.905 . . . . 0.0 109.644 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.05 -42.3 98.22 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.304 -0.872 . . . . 0.0 109.101 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' LEU . . . . . 0.459 HD11 HD23 ' C' ' 104' ' ' LEU . 46.3 tp -60.81 -43.54 98.07 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.355 -0.841 . . . . 0.0 108.953 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -59.98 -47.77 84.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.235 -0.915 . . . . 0.0 109.718 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.46 -41.96 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.032 -1.042 . . . . 0.0 109.123 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.97 -46.02 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.44 -0.787 . . . . 0.0 109.059 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.05 -41.65 92.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.462 -0.774 . . . . 0.0 109.104 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.431 ' HG2' HH11 ' C' ' 23' ' ' ARG . 53.6 mtt-85 -60.43 -40.05 89.65 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.285 -0.884 . . . . 0.0 109.512 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.82 -39.9 90.71 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.112 -0.993 . . . . 0.0 109.441 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -60.15 -46.74 88.63 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.17 -0.956 . . . . 0.0 109.101 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.59 -40.07 88.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.206 -0.934 . . . . 0.0 109.416 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.41 HD23 HD13 ' A' ' 28' ' ' LEU . 29.8 tp -63.45 -40.17 96.43 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.356 -0.84 . . . . 0.0 109.455 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.39 -40.57 91.37 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.412 -0.805 . . . . 0.0 109.586 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.84 -39.98 91.11 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.122 -0.986 . . . . 0.0 109.398 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.549 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 97.3 mt -62.02 -40.76 96.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.752 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.0 p -67.0 -40.01 87.25 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.103 -0.998 . . . . 0.0 109.643 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 56.7 t -60.54 -40.03 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.334 -0.854 . . . . 0.0 109.181 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -59.97 -43.91 94.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.265 -0.897 . . . . 0.0 109.753 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.68 89.86 Favored Glycine 0 N--CA 1.487 2.052 0 C-N-CA 119.343 -1.408 . . . . 0.0 109.818 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -50.01 75.43 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.995 -1.297 . . . . 0.0 110.08 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.32 -39.97 94.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.073 -1.017 . . . . 0.0 109.779 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.662 HD21 HH21 ' C' ' 41' ' ' ARG . 53.6 t-20 -60.01 -40.84 90.67 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.296 -0.877 . . . . 0.0 109.69 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.09 -40.02 94.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.049 -1.032 . . . . 0.0 109.955 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -59.99 -41.79 92.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.057 -1.027 . . . . 0.0 109.48 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 71.8 p -60.1 -40.03 88.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.01 -1.056 . . . . 0.0 108.837 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.662 HH21 HD21 ' C' ' 37' ' ' ASN . 34.3 mtt-85 -67.17 -39.99 86.53 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.03 -42.74 90.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.28 -0.887 . . . . 0.0 109.078 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 70.7 p -60.02 -40.09 88.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.075 -1.016 . . . . 0.0 109.826 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.35 95.44 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.137 -0.977 . . . . 0.0 108.511 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 95.6 mt -61.09 -39.24 81.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.711 -0.618 . . . . 0.0 109.759 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -60.06 -40.51 89.73 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.222 -0.924 . . . . 0.0 108.983 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.31 -46.66 89.08 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.427 -0.796 . . . . 0.0 109.639 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 61.0 m-85 -65.25 -38.37 90.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.257 -0.902 . . . . 0.0 109.701 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 48.0 mt -60.0 -40.05 87.86 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.936 -1.103 . . . . 0.0 108.809 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -59.99 -39.92 87.39 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' C' ' 53' ' ' ALA . 4.9 tm0? -59.94 -40.03 87.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.194 -0.941 . . . . 0.0 109.065 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 53' ' ' ALA . . . . . 0.498 ' N ' ' OE1' ' C' ' 52' ' ' GLN . . . -59.94 -33.93 72.57 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.066 -1.021 . . . . 0.0 108.79 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -59.21 -39.99 84.39 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 81.3 mt -77.19 116.75 18.09 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -131.62 -69.93 0.6 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.138 -0.976 . . . . 0.0 109.917 -179.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.22 87.84 1.62 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.377 -0.827 . . . . 0.0 108.795 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.427 ' CD1' ' N ' ' C' ' 58' ' ' TRP . 35.3 m95 -101.6 125.46 48.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.778 -0.576 . . . . 0.0 109.703 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 112.64 -4.51 26.19 Favored Glycine 0 N--CA 1.5 2.901 0 O-C-N 121.287 -0.883 . . . . 0.0 112.436 177.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.73 25.49 0.26 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.051 -1.852 . . . . 0.0 108.866 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.534 ' O ' ' CE1' ' A' ' 62' ' ' PHE . . . -93.5 101.92 14.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.477 -0.764 . . . . 0.0 109.827 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 62' ' ' PHE . . . . . 0.545 ' CE1' ' O ' ' B' ' 61' ' ' ALA . 13.2 m-85 -107.12 7.33 29.56 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.954 -1.092 . . . . 0.0 109.329 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -158.93 24.82 0.21 Allowed 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -143.26 151.44 40.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.517 -0.739 . . . . 0.0 109.849 -178.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 t -110.94 57.7 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 177.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.51 159.95 43.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.755 -0.591 . . . . 0.0 109.611 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -120.88 134.01 55.3 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.512 HG23 ' O ' ' C' ' 68' ' ' THR . 8.2 t -94.98 119.87 34.23 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.213 -0.93 . . . . 0.0 110.048 -178.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.548 HG23 ' O ' ' C' ' 69' ' ' THR . 9.2 t -112.47 121.61 45.33 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 46.5 t -119.56 97.43 50.01 Favored Pre-proline 0 N--CA 1.499 1.991 0 O-C-N 121.493 -0.754 . . . . 0.0 109.5 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -81.38 66.86 8.62 Favored 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.227 1.951 . . . . 0.0 112.049 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.447 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 20.3 t90 -69.54 129.45 91.47 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' C' ' 72' ' ' TRP . 66.9 Cg_exo -38.03 148.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 121.494 1.463 . . . . 0.0 111.59 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.505 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 17.1 t-20 -128.23 -58.91 1.19 Allowed 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.2 125.39 34.6 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 16.8 p -80.44 109.97 15.44 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.841 -1.162 . . . . 0.0 108.153 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 35.2 mt -79.67 137.04 36.95 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.844 0.83 . . . . 0.0 110.044 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.543 HG23 ' O ' ' C' ' 78' ' ' THR . 5.2 t -87.49 114.77 60.32 Favored Pre-proline 0 C--N 1.298 -1.642 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -91.25 -47.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 121.722 1.615 . . . . 0.0 114.094 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -121.78 -44.36 2.32 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.308 -0.87 . . . . 0.0 113.332 -176.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.614 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.2 p90 -60.02 -49.93 75.74 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.246 -1.534 . . . . 0.0 112.473 -175.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.614 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.9 t30 -72.55 -43.41 63.51 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.224 -1.548 . . . . 0.0 110.358 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -60.0 -49.67 76.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.068 -1.02 . . . . 0.0 110.884 -178.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.04 -42.1 94.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.726 -1.234 . . . . 0.0 109.816 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.433 HG23 ' O ' ' C' ' 81' ' ' TRP . 75.8 p -70.05 -39.99 75.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.319 -0.863 . . . . 0.0 109.621 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -68.05 -39.94 82.92 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.255 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -59.99 -40.45 89.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.757 -1.214 . . . . 0.0 108.253 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.03 -40.04 94.25 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.953 -1.092 . . . . 0.0 108.458 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.555 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 74.6 t90 -60.02 -49.96 75.62 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.541 -0.724 . . . . 0.0 110.034 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.42 -40.82 96.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.084 -1.01 . . . . 0.0 109.896 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -62.02 -41.99 98.69 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.016 -1.053 . . . . 0.0 110.396 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -60.09 -43.14 95.74 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.864 -1.147 . . . . 0.0 109.485 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.8 -42.12 91.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.446 -0.784 . . . . 0.0 109.426 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.34 -40.07 89.35 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.311 -0.868 . . . . 0.0 110.971 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -69.02 -39.98 78.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.738 -1.226 . . . . 0.0 109.449 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.47 -40.12 85.29 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.193 -0.942 . . . . 0.0 110.019 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 97' ' ' GLU . . . . . 0.427 ' O ' HG23 ' C' ' 101' ' ' THR . 97.1 mt-10 -67.04 -39.91 87.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.818 -1.176 . . . . 0.0 109.864 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.31 -40.08 81.82 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.211 -0.931 . . . . 0.0 109.534 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -67.87 -40.02 83.66 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.343 -0.848 . . . . 0.0 109.742 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.16 -41.23 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.09 -1.006 . . . . 0.0 109.567 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 101' ' ' THR . . . . . 0.427 HG23 ' O ' ' C' ' 97' ' ' GLU . 40.9 p -63.74 -40.64 97.22 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.919 -1.113 . . . . 0.0 109.369 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.61 -49.13 78.75 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.318 -0.864 . . . . 0.0 109.794 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.12 -41.74 99.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.179 -0.95 . . . . 0.0 109.733 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 104' ' ' LEU . . . . . 0.459 HD23 HD11 ' C' ' 18' ' ' LEU . 84.5 mt -61.3 -41.41 96.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.001 -1.062 . . . . 0.0 109.592 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -64.25 -43.16 95.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.063 -1.023 . . . . 0.0 109.286 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.8 -40.94 97.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.409 -0.807 . . . . 0.0 109.797 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.28 95.0 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.291 -0.881 . . . . 0.0 109.765 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -60.0 -49.88 75.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.079 -1.013 . . . . 0.0 109.603 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.2 -47.02 93.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.256 -0.902 . . . . 0.0 109.253 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -69.54 -40.03 77.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.475 -0.765 . . . . 0.0 110.599 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -60.01 -45.86 91.38 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.977 -1.077 . . . . 0.0 109.664 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.99 -40.03 95.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.136 -0.978 . . . . 0.0 109.479 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -65.75 -39.95 91.6 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.129 -0.982 . . . . 0.0 109.801 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -60.04 -41.29 91.96 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.937 -1.102 . . . . 0.0 109.736 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 115' ' ' MET . . . . . 0.436 ' C ' ' SD ' ' C' ' 115' ' ' MET . 12.4 tmm? -70.04 -40.93 74.84 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.937 -1.102 . . . . 0.0 109.166 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -61.7 -44.49 96.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.388 -0.82 . . . . 0.0 109.182 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.24 -40.07 88.96 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.355 -0.841 . . . . 0.0 109.143 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 13.5 tp -59.99 -40.89 90.7 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.8 mt-30 -63.31 -39.84 95.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.509 -0.744 . . . . 0.0 109.669 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -60.09 -33.31 71.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.218 -0.926 . . . . 0.0 109.7 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 88.3 mt -58.1 -48.88 78.84 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.887 -1.133 . . . . 0.0 108.451 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -143.65 65.78 1.31 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.172 -0.955 . . . . 0.0 109.879 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.405 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.7 t . . . . . 0 N--CA 1.495 1.777 0 O-C-N 121.15 -0.969 . . . . 0.0 109.124 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 121.506 0.67 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.505 ' N ' ' OE1' ' A' ' 2' ' ' GLN . 1.0 OUTLIER -78.5 144.99 35.2 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.365 -0.834 . . . . 0.0 109.293 179.872 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 p -89.09 60.0 5.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.168 -0.957 . . . . 0.0 108.812 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.03 -39.94 94.02 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.458 -0.776 . . . . 0.0 108.985 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.404 HG22 ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -60.43 -42.47 96.11 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.213 -0.929 . . . . 0.0 109.12 179.781 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.25 -43.02 99.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.131 -0.981 . . . . 0.0 108.745 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.0 mt -60.25 -39.87 88.29 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.642 -0.662 . . . . 0.0 110.196 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.05 85.75 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.014 -1.054 . . . . 0.0 108.556 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.36 -45.94 44.59 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.04 -47.59 91.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.082 -1.246 . . . . 0.0 109.903 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.06 -41.66 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.124 -0.985 . . . . 0.0 108.47 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.94 -40.05 91.8 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -60.22 -45.34 93.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.476 -0.765 . . . . 0.0 109.739 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -60.33 -41.38 93.46 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.405 -0.81 . . . . 0.0 109.303 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.02 -46.85 88.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.223 -0.923 . . . . 0.0 109.476 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -61.32 -41.22 96.66 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.251 -0.906 . . . . 0.0 109.879 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.77 -41.48 97.76 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.09 -1.007 . . . . 0.0 108.638 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.37 -43.15 96.83 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.31 -49.99 75.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.481 -0.762 . . . . 0.0 109.803 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.31 -41.78 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 121.1 -1.0 . . . . 0.0 109.416 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.96 -43.85 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.168 -0.957 . . . . 0.0 109.129 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -60.71 -41.25 94.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.496 -0.753 . . . . 0.0 109.008 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.45 ' HE ' HD11 ' B' ' 103' ' ' LEU . 55.8 mtt-85 -61.32 -40.07 92.87 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.401 -0.812 . . . . 0.0 109.83 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.67 -39.92 90.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.949 -1.094 . . . . 0.0 109.412 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -60.2 -42.37 94.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.164 -0.96 . . . . 0.0 109.016 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -68.27 -40.44 81.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.269 -0.894 . . . . 0.0 109.068 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.464 HD23 HD13 ' B' ' 28' ' ' LEU . 24.9 tp -63.59 -40.56 97.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.527 -0.733 . . . . 0.0 109.53 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.434 HD13 HD23 ' C' ' 27' ' ' LEU . 23.8 mt -60.13 -40.4 89.64 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.302 -0.873 . . . . 0.0 109.628 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.23 -40.68 94.92 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.144 -0.972 . . . . 0.0 109.667 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.573 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 88.1 mt -62.78 -39.97 95.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 0.0 109.276 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.7 p -66.19 -40.2 90.26 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.052 -1.03 . . . . 0.0 109.55 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.49 -40.0 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.19 -0.944 . . . . 0.0 109.014 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -60.24 -44.19 95.44 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.471 -0.768 . . . . 0.0 110.24 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -47.37 91.32 Favored Glycine 0 N--CA 1.49 2.254 0 C-N-CA 119.558 -1.306 . . . . 0.0 109.908 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.26 -50.04 75.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.051 -1.264 . . . . 0.0 109.941 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -60.31 -39.95 88.84 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.153 -0.967 . . . . 0.0 109.696 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -59.98 -40.08 87.88 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.238 -0.914 . . . . 0.0 109.093 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.94 -40.24 88.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.067 -1.021 . . . . 0.0 109.425 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -59.89 -40.25 88.12 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.315 -0.866 . . . . 0.0 109.681 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.0 p -60.03 -42.79 95.13 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.072 -1.017 . . . . 0.0 108.622 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.624 HH21 ' CG ' ' B' ' 82' ' ' ASN . 60.3 mtt-85 -64.31 -39.92 94.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 0.0 109.188 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -45.29 95.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 C-N-CA 119.379 -0.928 . . . . 0.0 108.855 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.5 p -60.19 -42.2 94.54 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.898 -1.126 . . . . 0.0 109.905 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.5 95.97 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.213 -0.929 . . . . 0.0 108.913 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.9 mt -60.04 -39.08 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.697 -0.627 . . . . 0.0 109.456 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.8 -40.57 88.77 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.113 -0.992 . . . . 0.0 109.413 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.79 -41.13 99.12 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.844 -1.16 . . . . 0.0 108.926 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.592 ' O ' ' NE2' ' A' ' 52' ' ' GLN . 51.4 m-85 -67.17 -39.56 86.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.523 -0.735 . . . . 0.0 109.77 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.04 -39.98 87.81 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.794 -1.191 . . . . 0.0 108.726 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.84 -39.7 86.01 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.973 -1.079 . . . . 0.0 109.081 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.73 -39.77 85.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.232 -0.918 . . . . 0.0 108.876 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.651 ' NE2' ' N ' ' A' ' 52' ' ' GLN . 0.0 OUTLIER -59.83 -40.0 87.02 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.005 -1.059 . . . . 0.0 109.328 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.42 85.55 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 120.672 -1.267 . . . . 0.0 108.254 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.89 -39.85 86.73 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.334 -0.854 . . . . 0.0 108.768 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.9 mt -69.31 117.77 11.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.152 -0.967 . . . . 0.0 108.751 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' A' ' 70' ' ' VAL . 35.8 m120 -134.69 -69.4 0.52 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.257 -0.902 . . . . 0.0 110.549 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.795 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -151.27 116.82 5.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.202 -0.937 . . . . 0.0 109.538 -179.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.828 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 89.9 m95 -100.35 129.93 46.39 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.401 -0.812 . . . . 0.0 110.436 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' B' ' 60' ' ' ALA . . . 61.49 25.3 64.96 Favored Glycine 0 N--CA 1.49 2.283 0 C-N-CA 120.021 -1.085 . . . . 0.0 110.434 178.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -76.12 23.7 0.14 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.859 -1.377 . . . . 0.0 109.492 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.439 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.71 99.84 1.27 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.986 -1.071 . . . . 0.0 110.426 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.479 ' HB3' HE22 ' B' ' 64' ' ' GLN . 43.1 m-85 -108.46 11.79 26.64 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.195 -0.941 . . . . 0.0 109.555 178.618 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -133.59 23.15 3.99 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 177.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.468 HE22 ' HB3' ' C' ' 62' ' ' PHE . 29.9 mp0 -150.57 153.11 35.17 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -101.22 60.33 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.102 -0.999 . . . . 0.0 108.525 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.98 157.4 43.11 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.526 -0.734 . . . . 0.0 109.363 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -129.6 132.21 46.71 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.89 112.24 24.13 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.908 -1.12 . . . . 0.0 109.349 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.61 121.47 44.27 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.556 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 57.3 t -123.8 83.3 54.57 Favored Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 121.417 -0.802 . . . . 0.0 110.174 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -86.73 62.54 4.5 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.909 2.406 . . . . 0.0 110.873 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' PRO . 22.2 t90 -69.19 132.55 89.96 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.408 ' C ' ' O ' ' A' ' 72' ' ' TRP . 78.1 Cg_exo -38.59 149.04 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 121.75 1.633 . . . . 0.0 110.889 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.53 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 0.2 OUTLIER -127.56 -53.99 1.35 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.242 -0.911 . . . . 0.0 110.175 -178.699 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.11 126.88 38.43 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.492 -0.755 . . . . 0.0 109.607 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.0 t -81.95 109.69 16.54 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -83.75 136.23 34.24 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.731 0.777 . . . . 0.0 110.478 -177.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 78' ' ' THR . 9.2 t -94.93 110.77 51.66 Favored Pre-proline 0 N--CA 1.493 1.684 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -90.58 -49.53 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.375 0 C-N-CA 121.787 1.658 . . . . 0.0 115.596 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -122.12 -43.05 2.34 Favored 'General case' 0 N--CA 1.507 2.41 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.645 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.8 p90 -59.57 -49.59 77.18 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.433 -1.417 . . . . 0.0 112.089 -175.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.645 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 63.7 t30 -71.09 -40.29 71.62 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.252 -1.53 . . . . 0.0 111.009 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.89 -50.13 74.98 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.067 -1.021 . . . . 0.0 110.657 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.84 -47.13 87.77 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.882 -1.137 . . . . 0.0 109.325 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.7 p -68.27 -39.93 82.01 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.481 -0.762 . . . . 0.0 110.199 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -66.89 -40.18 87.67 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.017 -1.052 . . . . 0.0 109.098 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -59.89 -40.59 89.25 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 118.677 -1.209 . . . . 0.0 108.553 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.96 -40.48 93.53 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.157 -0.965 . . . . 0.0 108.864 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.545 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 65.2 t90 -60.47 -49.64 76.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.302 -0.874 . . . . 0.0 109.353 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -63.12 -42.54 99.54 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.216 -0.927 . . . . 0.0 109.318 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.405 ' HG2' HH11 ' A' ' 91' ' ' ARG . 52.8 mtt-85 -62.09 -43.25 99.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.151 -0.968 . . . . 0.0 110.498 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -60.35 -41.8 94.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.974 -1.079 . . . . 0.0 109.037 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.77 -40.11 87.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.339 -0.851 . . . . 0.0 109.381 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.96 -39.98 94.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.145 -0.972 . . . . 0.0 110.745 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -70.05 -40.04 75.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.729 -1.232 . . . . 0.0 109.63 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.63 -41.07 88.91 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.103 -0.998 . . . . 0.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 101' ' ' THR . 86.7 tt0 -60.21 -48.57 81.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.273 -0.892 . . . . 0.0 109.06 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.34 -42.93 99.5 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.557 -0.714 . . . . 0.0 109.743 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -64.39 -40.18 95.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.223 -0.923 . . . . 0.0 109.867 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.7 mt -67.79 -40.09 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.081 -1.012 . . . . 0.0 109.709 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 97' ' ' GLU . 43.5 p -63.43 -40.32 96.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.941 -1.1 . . . . 0.0 109.481 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.77 -50.1 74.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.314 -0.866 . . . . 0.0 110.097 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.403 HD11 ' HE ' ' C' ' 23' ' ' ARG . 99.1 mt -61.44 -41.76 97.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.105 -0.997 . . . . 0.0 109.708 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.69 -43.8 97.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.157 -0.964 . . . . 0.0 109.256 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.96 -47.79 84.37 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.183 -0.948 . . . . 0.0 109.422 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.84 -40.2 94.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.053 -1.029 . . . . 0.0 109.475 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.03 -45.58 94.21 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.3 -0.875 . . . . 0.0 109.611 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.15 -48.28 82.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -0.943 . . . . 0.0 109.316 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.17 -48.78 86.7 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.286 -0.884 . . . . 0.0 108.682 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -67.68 -39.98 84.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.28 -0.888 . . . . 0.0 110.588 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -60.35 -50.01 75.33 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.991 -1.068 . . . . 0.0 109.912 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.05 -41.37 99.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.174 -0.954 . . . . 0.0 109.007 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -61.54 -42.41 98.78 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.348 -0.845 . . . . 0.0 110.113 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -62.22 -40.92 97.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.803 -1.186 . . . . 0.0 109.216 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.14 -40.77 78.04 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.268 -0.895 . . . . 0.0 108.588 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -60.02 -47.66 84.92 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.362 -0.836 . . . . 0.0 108.768 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.12 -40.09 92.46 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.29 -0.881 . . . . 0.0 109.098 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.41 -41.69 94.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.521 -0.737 . . . . 0.0 109.732 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.3 mt-30 -60.3 -40.68 91.36 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.027 -1.046 . . . . 0.0 109.596 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -60.76 -39.81 90.14 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.117 -0.989 . . . . 0.0 109.423 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.49 -49.37 78.04 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -116.23 59.12 0.74 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.428 -0.795 . . . . 0.0 109.139 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 119' ' ' GLN . 3.1 t . . . . . 0 N--CA 1.494 1.759 0 O-C-N 120.956 -1.09 . . . . 0.0 109.323 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLN . . . . . 0.498 ' OE1' ' N ' ' B' ' 2' ' ' GLN . 1.0 OUTLIER -78.81 145.0 34.54 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.481 -0.762 . . . . 0.0 109.316 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 37.8 p -88.84 59.73 5.19 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.2 -0.938 . . . . 0.0 108.972 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.0 -39.95 94.0 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.32 -0.863 . . . . 0.0 109.232 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -42.72 95.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.122 -0.986 . . . . 0.0 109.072 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.14 -43.14 99.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.095 -1.003 . . . . 0.0 108.635 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 41.2 mt -60.3 -39.98 88.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.678 -0.638 . . . . 0.0 110.104 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.11 -40.23 84.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.995 -1.065 . . . . 0.0 108.397 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.23 -45.81 46.52 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.24 -47.89 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.288 -1.125 . . . . 0.0 109.935 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.16 -41.16 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.132 -0.98 . . . . 0.0 108.457 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.09 -40.03 92.18 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -60.01 -45.47 92.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.456 -0.778 . . . . 0.0 109.884 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -60.48 -41.65 94.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.443 -0.786 . . . . 0.0 109.251 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -60.2 -46.76 88.62 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -0.891 . . . . 0.0 109.205 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -60.72 -41.52 95.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.209 -0.932 . . . . 0.0 109.952 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.0 -41.37 97.97 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.973 -1.079 . . . . 0.0 108.606 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.3 -43.46 96.28 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.96 -50.19 74.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.506 -0.746 . . . . 0.0 109.812 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 83.2 t -59.99 -41.54 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.157 -0.964 . . . . 0.0 109.386 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.13 -44.01 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.275 -0.891 . . . . 0.0 109.13 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -60.67 -41.37 94.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.516 -0.74 . . . . 0.0 109.184 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.422 ' HG2' HH11 ' B' ' 23' ' ' ARG . 55.9 mtt-85 -61.19 -39.92 92.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.414 -0.804 . . . . 0.0 109.894 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.44 -40.18 90.21 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.036 -1.04 . . . . 0.0 109.45 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.37 -42.14 95.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.865 . . . . 0.0 109.063 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.27 -40.14 81.96 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.318 -0.864 . . . . 0.0 109.008 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.477 HD23 HD13 ' C' ' 28' ' ' LEU . 25.1 tp -64.2 -40.35 95.89 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.445 -0.784 . . . . 0.0 109.431 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.464 HD13 HD23 ' A' ' 27' ' ' LEU . 24.4 mt -60.2 -40.3 89.59 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.324 -0.86 . . . . 0.0 109.688 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.52 -41.06 96.75 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.109 -0.994 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.576 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 87.7 mt -62.23 -40.04 94.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.103 -0.998 . . . . 0.0 109.402 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 73.0 p -66.49 -40.09 89.1 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.226 -0.921 . . . . 0.0 109.467 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.51 -40.37 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.148 -0.97 . . . . 0.0 108.861 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -60.01 -43.94 94.92 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.383 -0.823 . . . . 0.0 110.32 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -47.45 90.93 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.25 -49.97 75.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.148 -1.207 . . . . 0.0 109.973 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -60.61 -39.85 89.7 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.194 -0.941 . . . . 0.0 109.522 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.22 -0.925 . . . . 0.0 109.311 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.17 -39.96 88.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.927 . . . . 0.0 109.343 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -60.0 -40.08 87.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.34 -0.85 . . . . 0.0 109.709 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 57.2 p -60.0 -43.14 95.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.019 -1.051 . . . . 0.0 108.628 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.603 HH21 ' CG ' ' C' ' 82' ' ' ASN . 60.0 mtt-85 -64.21 -40.0 95.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.374 -0.828 . . . . 0.0 109.057 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.95 -45.32 95.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 C-N-CA 119.211 -0.996 . . . . 0.0 108.929 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -60.18 -41.9 93.89 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.034 -1.041 . . . . 0.0 109.982 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.03 98.69 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.07 -1.019 . . . . 0.0 108.874 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.02 -39.3 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.688 -0.632 . . . . 0.0 109.457 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.64 -40.31 87.23 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.103 -0.998 . . . . 0.0 109.516 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.33 -40.86 98.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.8 -1.187 . . . . 0.0 108.553 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.593 ' O ' ' NE2' ' B' ' 52' ' ' GLN . 51.0 m-85 -67.12 -39.82 86.73 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.365 -0.834 . . . . 0.0 109.834 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 42.7 mt -59.84 -39.94 86.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.733 -1.229 . . . . 0.0 108.762 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.93 -39.35 85.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.932 -1.105 . . . . 0.0 109.114 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -59.8 -39.77 86.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.222 -0.924 . . . . 0.0 109.108 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.663 ' NE2' ' N ' ' B' ' 52' ' ' GLN . 0.0 OUTLIER -59.94 -39.93 87.23 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.975 -1.078 . . . . 0.0 109.188 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.74 86.18 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 120.772 -1.205 . . . . 0.0 108.247 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.76 -39.81 86.05 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.16 -0.963 . . . . 0.0 108.85 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -69.42 117.85 11.55 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.017 -1.052 . . . . 0.0 108.645 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.57 ' ND2' ' O ' ' B' ' 70' ' ' VAL . 35.7 m120 -134.47 -69.36 0.52 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.095 -1.003 . . . . 0.0 110.461 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.828 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -151.15 117.0 5.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.219 -0.925 . . . . 0.0 109.658 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.75 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 89.8 m95 -100.54 129.92 46.54 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.404 -0.81 . . . . 0.0 110.469 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 61.56 25.57 65.46 Favored Glycine 0 N--CA 1.489 2.229 0 C-N-CA 119.898 -1.144 . . . . 0.0 110.274 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -76.6 23.63 0.16 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.637 -1.508 . . . . 0.0 109.433 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.418 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.26 99.57 1.33 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.682 -1.261 . . . . 0.0 110.41 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.414 ' HB3' HE22 ' C' ' 64' ' ' GLN . 44.5 m-85 -108.26 11.53 27.22 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.098 -1.001 . . . . 0.0 109.643 178.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 22.6 mmm180 -133.35 23.08 4.07 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLN . . . . . 0.479 HE22 ' HB3' ' A' ' 62' ' ' PHE . 29.9 mp0 -150.42 153.07 35.31 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.136 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.6 t -101.02 60.59 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.043 -1.036 . . . . 0.0 108.602 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.15 157.3 42.97 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.436 -0.79 . . . . 0.0 109.333 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -129.68 132.11 46.58 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.417 ' H ' HG22 ' B' ' 68' ' ' THR . 0.0 OUTLIER -92.92 112.31 24.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.927 -1.108 . . . . 0.0 109.316 -179.081 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.64 121.87 45.46 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.57 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 53.5 t -124.36 83.41 57.23 Favored Pre-proline 0 N--CA 1.499 1.99 0 O-C-N 121.415 -0.803 . . . . 0.0 110.153 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -86.62 62.65 4.61 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 122.902 2.401 . . . . 0.0 110.756 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.413 ' O ' ' C ' ' B' ' 73' ' ' PRO . 23.0 t90 -69.3 132.51 89.76 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.376 -0.827 . . . . 0.0 109.106 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.413 ' C ' ' O ' ' B' ' 72' ' ' TRP . 83.2 Cg_exo -38.38 149.27 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 121.695 1.597 . . . . 0.0 110.858 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.549 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 0.2 OUTLIER -127.79 -54.3 1.32 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.217 -0.927 . . . . 0.0 109.899 -178.562 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.25 126.97 38.65 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.294 -0.879 . . . . 0.0 109.572 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.2 t -81.82 109.91 16.64 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.1 mt -83.79 136.18 34.25 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 121.624 0.726 . . . . 0.0 110.54 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.651 HG23 ' O ' ' B' ' 78' ' ' THR . 9.2 t -94.72 111.46 54.3 Favored Pre-proline 0 N--CA 1.493 1.687 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -91.07 -50.06 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.267 0 C-N-CA 121.824 1.682 . . . . 0.0 115.193 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -121.55 -42.97 2.41 Favored 'General case' 0 N--CA 1.508 2.45 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -176.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.66 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.7 p90 -59.61 -49.52 77.45 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.435 -1.416 . . . . 0.0 112.133 -175.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.66 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 63.0 t30 -71.08 -40.56 71.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.234 -1.541 . . . . 0.0 110.844 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -60.15 -49.97 75.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.018 -1.051 . . . . 0.0 110.666 -178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.49 -47.15 87.39 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.835 -1.166 . . . . 0.0 109.248 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 70.5 p -68.5 -40.17 80.98 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.317 -0.865 . . . . 0.0 110.151 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -66.51 -40.14 89.06 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.94 -1.1 . . . . 0.0 109.319 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.1 -40.31 89.22 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.658 -1.276 . . . . 0.0 108.482 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.93 -40.76 94.45 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.075 -1.015 . . . . 0.0 108.944 178.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.573 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 64.7 t90 -60.09 -49.87 75.95 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.187 -0.945 . . . . 0.0 109.225 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -63.38 -42.4 98.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.206 -0.934 . . . . 0.0 109.231 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.416 ' HG2' HH11 ' B' ' 91' ' ' ARG . 53.3 mtt-85 -62.03 -43.53 98.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.149 -0.97 . . . . 0.0 110.305 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -60.05 -41.39 92.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.701 -1.25 . . . . 0.0 109.235 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.03 -40.14 88.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.294 -0.879 . . . . 0.0 109.265 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.76 -40.21 94.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.121 -0.987 . . . . 0.0 110.741 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -69.86 -39.95 76.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.814 -1.179 . . . . 0.0 109.602 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.83 -41.03 88.12 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.198 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.16 -48.63 80.92 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.294 -0.879 . . . . 0.0 108.965 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -61.38 -43.52 98.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.56 -0.713 . . . . 0.0 109.567 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -63.96 -40.15 95.75 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.235 -0.915 . . . . 0.0 109.955 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -67.69 -40.32 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.138 -0.977 . . . . 0.0 109.594 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.6 p -63.46 -40.26 96.66 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.941 -1.1 . . . . 0.0 109.51 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.78 -49.88 75.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.296 -0.877 . . . . 0.0 110.098 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.45 HD11 ' HE ' ' A' ' 23' ' ' ARG . 99.2 mt -61.6 -41.77 97.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.138 -0.976 . . . . 0.0 109.58 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.72 -43.38 97.94 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.18 -0.95 . . . . 0.0 109.166 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.08 -47.91 83.93 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.189 -0.944 . . . . 0.0 109.462 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.8 -40.4 95.17 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.171 -0.956 . . . . 0.0 109.552 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.72 92.91 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.197 -0.939 . . . . 0.0 109.574 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.28 -48.1 83.19 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.193 -0.942 . . . . 0.0 109.391 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.08 -49.04 85.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 121.332 -0.855 . . . . 0.0 108.735 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -67.64 -40.01 84.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.417 -0.802 . . . . 0.0 110.568 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.54 -50.04 75.14 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.1 -1.0 . . . . 0.0 110.014 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -62.69 -41.75 99.27 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.161 -0.962 . . . . 0.0 109.001 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -61.39 -42.3 98.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.359 -0.838 . . . . 0.0 110.083 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.34 -41.15 98.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.836 -1.165 . . . . 0.0 109.199 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -68.81 -40.72 79.41 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.23 -0.919 . . . . 0.0 108.703 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -60.19 -47.83 84.3 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.0 -39.93 91.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.214 -0.929 . . . . 0.0 109.134 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.67 -41.21 94.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.459 -0.776 . . . . 0.0 109.881 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.6 mt-30 -60.45 -40.79 92.44 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.151 -0.968 . . . . 0.0 109.598 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -60.63 -39.63 88.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.206 -0.934 . . . . 0.0 109.456 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.55 -49.51 77.49 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -116.13 58.99 0.74 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.652 -0.655 . . . . 0.0 109.311 178.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.411 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.8 t . . . . . 0 N--CA 1.493 1.697 0 O-C-N 120.947 -1.096 . . . . 0.0 109.439 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' GLN . . . . . 0.494 ' N ' ' OE1' ' C' ' 2' ' ' GLN . 1.0 OUTLIER -79.28 144.99 33.77 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.31 -0.868 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 38.7 p -89.03 59.88 5.19 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.137 -0.977 . . . . 0.0 108.908 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.67 -39.91 93.09 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.348 -0.845 . . . . 0.0 109.137 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.4 ' H ' HG22 ' C' ' 5' ' ' THR . 0.1 OUTLIER -60.3 -43.11 96.58 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.123 -0.985 . . . . 0.0 109.255 179.646 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.91 -43.17 99.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.181 -0.949 . . . . 0.0 108.54 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 39.5 mt -60.46 -39.85 89.04 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.564 -0.71 . . . . 0.0 110.167 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.06 84.53 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.973 -1.079 . . . . 0.0 108.463 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.01 -45.93 47.65 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.16 -48.32 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.178 -1.19 . . . . 0.0 109.785 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.15 -41.27 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.91 -39.95 91.28 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.453 -0.779 . . . . 0.0 108.951 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -60.3 -45.62 92.72 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.412 -0.805 . . . . 0.0 109.454 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -60.28 -41.61 93.69 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.406 -0.809 . . . . 0.0 109.321 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.14 -46.77 88.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.15 -0.969 . . . . 0.0 109.333 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -60.74 -41.26 95.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.297 -0.877 . . . . 0.0 109.933 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.31 -40.82 97.58 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.034 -1.041 . . . . 0.0 108.675 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.6 -43.61 97.2 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -60.07 -49.99 75.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.409 -0.807 . . . . 0.0 109.727 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.23 -40.84 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.033 -1.042 . . . . 0.0 109.558 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.68 -43.94 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.189 -0.944 . . . . 0.0 109.086 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -60.66 -41.37 94.86 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.408 HH11 ' HG2' ' C' ' 23' ' ' ARG . 55.0 mtt-85 -61.11 -40.13 92.6 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.43 -0.794 . . . . 0.0 109.94 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.49 -40.29 90.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.251 -0.906 . . . . 0.0 109.407 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -59.95 -42.54 94.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.341 -0.849 . . . . 0.0 108.912 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.05 -40.12 82.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.19 -0.944 . . . . 0.0 109.112 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.434 HD23 HD13 ' A' ' 28' ' ' LEU . 25.1 tp -64.22 -40.3 95.77 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.477 -0.764 . . . . 0.0 109.508 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.477 HD13 HD23 ' B' ' 27' ' ' LEU . 23.6 mt -60.49 -40.45 91.38 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.307 -0.871 . . . . 0.0 109.467 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.18 -40.46 94.0 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.161 -0.962 . . . . 0.0 109.52 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.545 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.9 mt -62.96 -40.11 96.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.201 -0.937 . . . . 0.0 109.081 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.0 p -65.86 -40.29 91.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.042 -1.036 . . . . 0.0 109.546 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.2 -40.37 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.267 -0.896 . . . . 0.0 109.074 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -60.15 -44.38 95.01 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.515 -0.741 . . . . 0.0 110.341 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.82 -46.91 93.28 Favored Glycine 0 N--CA 1.489 2.197 0 C-N-CA 119.397 -1.383 . . . . 0.0 109.945 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.55 -49.92 75.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.124 -1.221 . . . . 0.0 110.008 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -60.51 -40.07 90.08 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.115 -0.991 . . . . 0.0 109.417 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -59.9 -40.11 87.66 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.318 -0.864 . . . . 0.0 109.315 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.94 -40.03 87.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.165 -0.959 . . . . 0.0 109.333 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -60.09 -40.0 88.1 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.155 -0.966 . . . . 0.0 109.49 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 57.9 p -59.84 -43.66 94.5 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.027 -1.046 . . . . 0.0 108.753 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.625 HH21 ' CG ' ' A' ' 82' ' ' ASN . 60.8 mtt-85 -63.81 -39.95 95.47 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.331 -0.855 . . . . 0.0 109.165 178.575 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.12 -45.31 95.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 C-N-CA 119.319 -0.953 . . . . 0.0 108.801 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 70.0 p -60.03 -42.19 93.87 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.027 -1.045 . . . . 0.0 109.912 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.3 96.6 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.089 -1.007 . . . . 0.0 108.934 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.09 -38.9 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.641 -0.662 . . . . 0.0 109.469 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -59.9 -40.46 88.85 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.334 -0.854 . . . . 0.0 109.56 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.2 -41.12 99.13 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.832 -1.147 . . . . 0.0 108.524 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.594 ' O ' ' NE2' ' C' ' 52' ' ' GLN . 51.7 m-85 -66.9 -39.9 87.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.548 -0.72 . . . . 0.0 109.845 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 40.5 mt -59.83 -40.03 87.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.724 -1.235 . . . . 0.0 108.578 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.84 -39.69 85.98 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.924 -1.11 . . . . 0.0 109.015 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -59.65 -39.55 84.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.017 -1.052 . . . . 0.0 109.017 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.629 ' NE2' ' N ' ' C' ' 52' ' ' GLN . 0.0 OUTLIER -60.04 -39.93 87.6 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.834 -1.166 . . . . 0.0 109.356 -179.869 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.81 -39.58 85.49 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.757 -1.214 . . . . 0.0 108.18 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.81 -39.78 86.2 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.287 -0.883 . . . . 0.0 108.92 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 55.3 mt -69.71 117.7 11.64 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.114 -0.991 . . . . 0.0 108.639 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.572 ' ND2' ' O ' ' C' ' 70' ' ' VAL . 35.8 m120 -134.45 -69.6 0.52 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.348 -0.845 . . . . 0.0 110.57 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.75 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -151.07 116.87 5.49 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.254 -0.904 . . . . 0.0 109.429 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.795 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 90.5 m95 -100.56 129.85 46.55 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.458 -0.776 . . . . 0.0 110.162 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 60' ' ' ALA . . . 61.76 25.24 65.4 Favored Glycine 0 N--CA 1.49 2.257 0 C-N-CA 120.11 -1.043 . . . . 0.0 110.591 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.423 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -76.56 24.01 0.15 Allowed 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.606 -1.526 . . . . 0.0 109.669 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.48 99.18 1.29 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.983 -1.073 . . . . 0.0 110.466 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 62' ' ' PHE . . . . . 0.468 ' HB3' HE22 ' A' ' 64' ' ' GLN . 43.9 m-85 -107.97 11.59 27.73 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.185 -0.947 . . . . 0.0 109.64 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 22.5 mmm180 -133.31 23.03 4.08 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 64' ' ' GLN . . . . . 0.414 HE22 ' HB3' ' B' ' 62' ' ' PHE . 29.9 mp0 -150.48 153.02 35.13 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.5 t -101.01 60.48 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.996 -1.065 . . . . 0.0 108.646 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.93 157.55 43.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.472 -0.768 . . . . 0.0 109.418 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -129.71 132.02 46.5 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.61 112.22 24.09 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.827 -1.171 . . . . 0.0 109.385 -179.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.49 121.62 44.82 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.572 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 55.5 t -123.94 83.1 55.35 Favored Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 121.341 -0.849 . . . . 0.0 110.286 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -86.62 62.66 4.61 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.992 2.461 . . . . 0.0 110.962 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' C' ' 73' ' ' PRO . 23.4 t90 -69.47 132.69 89.34 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.532 -0.73 . . . . 0.0 109.155 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.401 ' C ' ' O ' ' C' ' 72' ' ' TRP . 79.0 Cg_exo -38.44 149.06 0.08 OUTLIER 'Trans proline' 0 N--CA 1.488 1.162 0 C-N-CA 121.589 1.526 . . . . 0.0 110.978 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.53 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 0.2 OUTLIER -127.68 -54.54 1.33 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.271 -0.893 . . . . 0.0 110.027 -178.381 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.08 126.85 38.38 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.374 -0.829 . . . . 0.0 109.542 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 11.4 t -81.74 109.75 16.43 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 36.2 mt -83.59 136.3 34.29 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.759 0.79 . . . . 0.0 110.454 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.665 HG23 ' O ' ' C' ' 78' ' ' THR . 9.0 t -94.97 111.23 53.84 Favored Pre-proline 0 N--CA 1.492 1.675 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -91.15 -49.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.407 0 C-N-CA 121.821 1.681 . . . . 0.0 115.38 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -121.84 -42.82 2.38 Favored 'General case' 0 N--CA 1.507 2.401 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -176.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.658 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.9 p90 -59.9 -49.67 76.79 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.359 -1.463 . . . . 0.0 112.045 -175.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.658 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 63.3 t30 -70.89 -40.29 72.31 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.355 -1.465 . . . . 0.0 110.85 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -60.01 -50.2 74.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.937 -1.102 . . . . 0.0 110.604 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.73 -46.79 89.08 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.898 -1.126 . . . . 0.0 109.389 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 72.4 p -68.68 -40.24 80.2 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.446 -0.784 . . . . 0.0 110.168 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 -66.47 -40.01 89.12 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 118.865 -1.134 . . . . 0.0 109.506 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.15 -40.34 89.52 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 118.575 -1.25 . . . . 0.0 108.586 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.87 -40.69 93.93 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.086 -1.009 . . . . 0.0 108.709 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.576 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 65.9 t90 -60.03 -49.87 75.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.182 -0.949 . . . . 0.0 109.346 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -63.25 -41.75 99.09 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.176 -0.953 . . . . 0.0 109.411 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 91' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' C' ' 91' ' ' ARG . 52.4 mtt-85 -62.6 -43.41 98.88 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.169 -0.957 . . . . 0.0 110.431 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -60.26 -41.22 92.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.88 -1.138 . . . . 0.0 109.203 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.14 -40.29 88.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.368 -0.832 . . . . 0.0 109.182 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.86 -40.03 93.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.363 -0.835 . . . . 0.0 110.908 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -70.0 -39.98 75.56 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.776 -1.202 . . . . 0.0 109.608 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.86 -41.15 87.79 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.107 -0.996 . . . . 0.0 109.107 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 97' ' ' GLU . . . . . 0.429 ' O ' HG23 ' C' ' 101' ' ' THR . 86.6 tt0 -60.26 -48.19 82.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 108.948 179.149 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.79 -42.86 99.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.386 -0.821 . . . . 0.0 109.7 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -64.45 -40.38 95.61 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.31 -0.869 . . . . 0.0 109.724 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 82.8 mt -67.55 -39.94 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.233 -0.917 . . . . 0.0 109.731 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 101' ' ' THR . . . . . 0.429 HG23 ' O ' ' C' ' 97' ' ' GLU . 42.2 p -63.63 -40.27 96.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.951 -1.093 . . . . 0.0 109.356 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.86 -49.98 75.28 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.229 -0.919 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 103' ' ' LEU . . . . . 0.413 HD11 ' HE ' ' B' ' 23' ' ' ARG . 98.3 mt -61.56 -41.67 97.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.06 -1.025 . . . . 0.0 109.686 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.96 -43.46 98.7 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.144 -0.973 . . . . 0.0 109.16 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.84 -47.76 84.41 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.201 -0.937 . . . . 0.0 109.651 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.03 -40.2 94.49 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.239 -0.913 . . . . 0.0 109.303 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.74 93.36 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.223 -0.923 . . . . 0.0 109.59 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.18 -48.17 82.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.183 -0.948 . . . . 0.0 109.261 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.87 -49.31 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -67.44 -40.05 85.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.5 -0.75 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -60.33 -50.09 75.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.031 -1.043 . . . . 0.0 109.945 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -62.42 -42.02 99.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.078 -1.014 . . . . 0.0 109.078 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -60.86 -42.77 98.53 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.442 -0.786 . . . . 0.0 110.128 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.1 -41.75 98.52 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.768 -1.208 . . . . 0.0 109.22 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -68.44 -40.63 81.06 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.027 -1.046 . . . . 0.0 108.642 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -60.18 -47.74 84.65 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.08 -40.13 92.53 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.379 -0.825 . . . . 0.0 109.185 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.4 -41.31 93.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.517 -0.739 . . . . 0.0 109.745 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.4 mt-30 -60.46 -41.33 93.92 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.007 -1.058 . . . . 0.0 109.643 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -60.16 -39.57 86.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.057 -1.027 . . . . 0.0 109.505 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.6 -49.38 78.0 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -116.02 59.03 0.73 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.64 -0.662 . . . . 0.0 109.338 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.407 ' N ' ' O ' ' C' ' 119' ' ' GLN . 3.1 t . . . . . 0 N--CA 1.494 1.75 0 O-C-N 120.987 -1.071 . . . . 0.0 109.494 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -69.53 145.04 52.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.286 -0.884 . . . . 0.0 109.792 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 m -89.17 63.19 6.49 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.347 -0.846 . . . . 0.0 109.04 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.13 -40.07 94.7 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.567 -0.708 . . . . 0.0 109.263 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.501 HG23 ' N ' ' A' ' 6' ' ' LEU . 12.9 t -60.14 -42.26 94.46 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.139 -0.976 . . . . 0.0 109.046 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.501 ' N ' HG23 ' A' ' 5' ' ' THR . 64.4 tp -61.52 -41.35 97.19 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.9 mt -63.73 -39.15 93.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.499 -0.751 . . . . 0.0 109.325 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.35 91.88 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.062 -1.024 . . . . 0.0 108.616 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.53 -46.81 73.84 Favored Glycine 0 N--CA 1.486 2.015 0 N-CA-C 108.539 -1.824 . . . . 0.0 108.539 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.08 -50.02 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.471 -1.017 . . . . 0.0 109.387 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 69.2 t -60.5 -44.45 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.165 -0.959 . . . . 0.0 108.956 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.23 -40.18 93.06 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.48 -0.763 . . . . 0.0 109.207 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.03 -41.87 93.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.392 -0.817 . . . . 0.0 109.392 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 -60.17 -40.69 90.81 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.054 -1.029 . . . . 0.0 109.543 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -60.19 -43.35 95.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.886 . . . . 0.0 108.613 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -62.11 -45.9 91.44 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.246 -0.909 . . . . 0.0 109.55 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.2 -43.85 95.6 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.216 -0.928 . . . . 0.0 109.055 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.89 -45.27 93.04 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.292 -0.88 . . . . 0.0 108.951 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -60.14 -47.13 87.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.384 -0.822 . . . . 0.0 109.722 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.08 -40.47 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.076 -1.015 . . . . 0.0 109.842 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -42.36 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.07 -1.019 . . . . 0.0 108.395 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -60.45 -40.37 90.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.536 -0.727 . . . . 0.0 109.122 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 31.1 mmt180 -60.11 -40.17 88.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.31 -0.869 . . . . 0.0 109.091 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -61.28 -39.97 92.41 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.22 -0.925 . . . . 0.0 109.438 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -60.13 -49.34 78.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.256 -0.902 . . . . 0.0 108.987 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.9 -44.28 97.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.333 -0.854 . . . . 0.0 109.36 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.05 -40.46 95.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.563 -0.711 . . . . 0.0 109.388 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.47 -40.67 92.09 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.275 -0.891 . . . . 0.0 109.709 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -60.56 -41.06 93.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.097 -1.002 . . . . 0.0 109.389 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.546 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.3 mt -61.32 -41.24 96.69 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.568 -0.707 . . . . 0.0 109.825 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -65.85 -40.02 91.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.095 -1.003 . . . . 0.0 109.557 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.11 -40.46 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.09 -1.006 . . . . 0.0 109.204 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -59.8 -43.8 94.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.291 -0.881 . . . . 0.0 109.919 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.47 -49.09 82.27 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.51 -50.06 75.06 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.158 -1.201 . . . . 0.0 110.272 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -61.35 -40.4 94.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.138 -0.976 . . . . 0.0 109.769 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.504 HD21 HH21 ' A' ' 41' ' ' ARG . 41.0 t30 -59.99 -41.58 92.37 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.254 -0.904 . . . . 0.0 109.64 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.19 -40.06 88.7 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.151 -0.968 . . . . 0.0 109.48 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.16 -42.47 95.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.043 -1.035 . . . . 0.0 109.645 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.4 p -60.15 -40.54 90.24 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.97 -1.081 . . . . 0.0 108.377 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.511 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 44.1 mtt-85 -67.66 -40.03 84.53 Favored 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.609 -0.836 . . . . 0.0 108.76 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.0 -41.58 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.9 p -60.09 -40.15 88.61 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.919 -1.113 . . . . 0.0 109.465 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.86 97.12 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.021 -1.049 . . . . 0.0 108.487 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.0 mt -61.51 -37.17 77.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.792 -0.568 . . . . 0.0 109.555 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.11 -40.1 88.51 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.17 -0.956 . . . . 0.0 108.91 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -64.55 -42.57 95.63 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.282 -0.886 . . . . 0.0 109.734 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.585 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 57.1 m-85 -67.87 -39.91 83.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.206 -0.934 . . . . 0.0 110.368 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.571 ' CD2' HE22 ' A' ' 52' ' ' GLN . 44.0 mt -60.17 -40.17 88.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.674 -1.266 . . . . 0.0 108.955 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -60.54 -40.08 90.24 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.643 -1.286 . . . . 0.0 108.952 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -59.98 -39.84 87.07 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.297 -0.877 . . . . 0.0 109.817 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.571 HE22 ' CD2' ' A' ' 49' ' ' LEU . 1.6 pt20 -59.69 -38.64 82.11 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.07 -1.018 . . . . 0.0 108.837 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.85 -39.19 80.55 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.931 -1.105 . . . . 0.0 108.041 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.01 -39.51 86.04 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.8 mt -70.53 117.96 12.73 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.077 -1.014 . . . . 0.0 108.684 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -133.19 -63.05 0.78 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.336 -0.852 . . . . 0.0 110.599 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.752 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -154.57 117.83 4.5 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.152 -0.967 . . . . 0.0 109.67 -178.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.759 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 65.6 m95 -101.43 124.27 46.83 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.398 -0.814 . . . . 0.0 110.628 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.53 22.98 75.31 Favored Glycine 0 N--CA 1.493 2.469 0 O-C-N 121.101 -1.0 . . . . 0.0 110.794 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.58 24.24 0.21 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.752 -1.44 . . . . 0.0 110.146 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.93 110.69 2.4 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.885 -1.135 . . . . 0.0 110.398 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.438 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 36.3 m-85 -117.45 11.95 14.04 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.335 -0.853 . . . . 0.0 109.388 178.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -137.79 23.85 2.86 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 177.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.405 ' NE2' ' CG ' ' C' ' 62' ' ' PHE . 17.4 mp0 -146.44 151.77 37.95 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.0 t -101.44 57.28 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.914 -1.116 . . . . 0.0 108.234 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.24 158.28 42.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.695 -0.628 . . . . 0.0 109.757 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -128.33 133.89 48.78 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.589 ' O ' HG23 ' A' ' 68' ' ' THR . 9.4 t -89.45 113.2 24.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.5 -1.375 . . . . 0.0 109.669 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 122.75 47.39 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.3 t -128.68 82.68 68.15 Favored Pre-proline 0 N--CA 1.497 1.881 0 O-C-N 121.255 -0.903 . . . . 0.0 109.536 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -87.35 60.84 3.77 Favored 'Trans proline' 0 C--N 1.312 -1.363 0 C-N-CA 122.972 2.448 . . . . 0.0 111.332 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' PRO . 17.0 t90 -69.53 129.95 91.05 Favored Pre-proline 0 C--N 1.299 -1.605 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' TRP . 91.0 Cg_exo -41.09 148.03 0.26 Allowed 'Trans proline' 0 N--CA 1.489 1.209 0 C-N-CA 121.235 1.29 . . . . 0.0 110.811 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 10.8 t-20 -125.36 -53.55 1.59 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.386 -0.822 . . . . 0.0 109.316 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.8 124.95 34.15 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.2 t -81.85 107.14 14.34 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.5 mt -81.72 136.47 35.46 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.835 0.826 . . . . 0.0 110.156 -178.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 78' ' ' THR . 2.0 t -94.03 113.04 59.59 Favored Pre-proline 0 C--N 1.298 -1.672 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -87.61 -47.73 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 121.622 1.548 . . . . 0.0 114.393 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -120.94 -44.57 2.41 Favored 'General case' 0 N--CA 1.51 2.545 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -177.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.58 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.1 p90 -59.94 -45.23 93.29 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.368 -1.458 . . . . 0.0 112.766 -175.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.58 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.3 t30 -75.11 -46.93 31.27 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.118 -1.614 . . . . 0.0 110.434 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.95 -50.25 74.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.322 -0.861 . . . . 0.0 110.698 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.54 -45.12 95.02 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.912 -1.117 . . . . 0.0 109.264 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.5 p -68.28 -39.94 81.98 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.284 -0.885 . . . . 0.0 109.902 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -66.84 -39.83 87.76 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.0 -1.063 . . . . 0.0 109.255 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -59.95 -41.08 91.08 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.689 -1.257 . . . . 0.0 108.901 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.18 -39.95 96.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.105 -0.997 . . . . 0.0 108.756 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.526 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 72.5 t90 -60.01 -50.15 74.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.455 -0.778 . . . . 0.0 109.45 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -62.1 -42.39 99.18 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.094 -1.004 . . . . 0.0 109.605 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HG2' HH11 ' A' ' 91' ' ' ARG . 0.9 OUTLIER -61.16 -42.21 98.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.349 -0.844 . . . . 0.0 110.367 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -60.16 -42.56 95.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.826 -1.171 . . . . 0.0 109.406 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -61.04 -41.39 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.228 -0.92 . . . . 0.0 109.085 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -59.98 -45.42 92.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.198 -0.939 . . . . 0.0 110.139 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -61.27 -42.68 99.05 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.919 -1.113 . . . . 0.0 109.544 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.65 -40.36 92.38 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 119.601 -0.84 . . . . 0.0 109.569 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 101' ' ' THR . 98.6 mt-10 -64.87 -40.13 94.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.015 -1.053 . . . . 0.0 109.683 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.3 -39.95 77.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 0.0 109.714 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -67.33 -40.26 85.9 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.16 -0.962 . . . . 0.0 109.956 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.69 -40.26 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.126 -0.984 . . . . 0.0 109.369 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 97' ' ' GLU . 24.2 p -63.07 -40.87 98.97 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.153 -0.967 . . . . 0.0 109.897 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.11 -43.0 96.64 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.048 -1.033 . . . . 0.0 109.861 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.97 -40.49 91.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.189 -0.944 . . . . 0.0 109.446 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.45 -41.16 96.69 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.232 -0.917 . . . . 0.0 109.027 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.02 -50.17 74.8 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.311 -0.868 . . . . 0.0 109.57 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.56 -41.33 98.84 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.272 -0.892 . . . . 0.0 108.968 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.33 82.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.463 -0.773 . . . . 0.0 109.802 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.56 -45.4 94.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.25 -0.906 . . . . 0.0 109.49 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.9 mt -60.33 -49.57 83.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.306 -0.871 . . . . 0.0 109.019 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -67.77 -40.02 84.08 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.118 -0.988 . . . . 0.0 110.203 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -59.95 -44.52 94.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.01 -1.056 . . . . 0.0 110.053 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.65 -39.94 88.45 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.159 -0.963 . . . . 0.0 109.382 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -66.37 -39.96 89.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 0.0 109.736 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -62.46 -42.36 99.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -0.921 . . . . 0.0 109.669 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 26.2 ttt -68.66 -40.13 80.34 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.051 -1.03 . . . . 0.0 108.642 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -60.56 -48.57 81.19 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.421 -0.799 . . . . 0.0 109.384 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.06 -40.11 88.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.277 -0.889 . . . . 0.0 109.366 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.86 -42.32 93.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.357 -0.839 . . . . 0.0 109.606 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.7 mt-30 -61.74 -40.65 95.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.059 -1.026 . . . . 0.0 109.598 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -60.21 -39.1 85.4 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.244 -0.91 . . . . 0.0 109.402 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 88.4 mt -58.43 -48.63 80.07 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -121.82 59.87 0.98 Allowed 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.493 1.695 0 O-C-N 120.989 -1.07 . . . . 0.0 109.111 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.164 0.507 . . . . 0.0 109.688 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -69.77 144.85 52.57 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.432 -0.793 . . . . 0.0 109.676 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.3 m -88.89 63.11 6.65 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.37 -0.831 . . . . 0.0 109.084 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.04 -40.03 94.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.565 -0.71 . . . . 0.0 109.211 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.512 HG23 ' N ' ' B' ' 6' ' ' LEU . 13.2 t -60.44 -41.95 95.1 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.196 -0.94 . . . . 0.0 108.934 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.512 ' N ' HG23 ' B' ' 5' ' ' THR . 63.1 tp -61.97 -40.7 96.5 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.19 -39.63 94.4 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.574 -0.704 . . . . 0.0 109.142 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -41.12 90.36 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.052 -1.03 . . . . 0.0 108.47 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.77 -46.8 71.71 Favored Glycine 0 N--CA 1.485 1.925 0 N-CA-C 108.546 -1.821 . . . . 0.0 108.546 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.14 -49.98 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.394 -1.063 . . . . 0.0 109.438 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 68.5 t -60.14 -44.32 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.384 -0.822 . . . . 0.0 108.958 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.6 -39.96 93.09 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.525 -0.735 . . . . 0.0 109.169 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.431 HE22 ' HA ' ' C' ' 107' ' ' ALA . 5.4 tp-100 -60.12 -41.96 93.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.338 -0.851 . . . . 0.0 109.385 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -60.1 -40.75 90.73 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.041 -1.037 . . . . 0.0 109.336 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -60.02 -43.28 95.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.073 -1.017 . . . . 0.0 108.896 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -62.01 -46.25 90.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 109.433 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.02 -43.9 94.96 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.245 -0.909 . . . . 0.0 109.211 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.87 -45.43 92.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.279 -0.888 . . . . 0.0 108.994 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.02 -46.98 87.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.308 -0.87 . . . . 0.0 109.695 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.05 -40.76 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.988 -1.07 . . . . 0.0 109.84 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.08 -41.81 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.55 -40.38 91.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.429 -0.794 . . . . 0.0 109.118 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -60.38 -40.06 89.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.365 -0.834 . . . . 0.0 109.124 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -61.1 -40.15 92.66 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 119.718 -0.793 . . . . 0.0 109.599 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -60.09 -49.44 77.63 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.344 -0.848 . . . . 0.0 108.993 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.55 -44.35 96.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.343 -0.848 . . . . 0.0 109.422 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.3 tp -62.05 -40.6 96.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.455 -0.778 . . . . 0.0 109.532 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.12 -41.01 91.71 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.364 -0.835 . . . . 0.0 109.529 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 mtt-85 -60.61 -41.4 94.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.143 -0.973 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.526 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 84.8 mt -61.06 -41.06 95.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.11 -0.994 . . . . 0.0 110.025 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 79.8 p -65.76 -39.89 91.51 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.128 -0.982 . . . . 0.0 109.534 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.74 -40.04 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.056 -1.028 . . . . 0.0 109.223 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -60.06 -44.1 94.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.421 -0.799 . . . . 0.0 109.886 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.37 -48.93 83.59 Favored Glycine 0 N--CA 1.484 1.871 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.83 -49.99 75.25 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.101 -1.235 . . . . 0.0 110.132 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -61.33 -40.58 94.78 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.986 -1.071 . . . . 0.0 109.787 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.521 HD21 HH21 ' B' ' 41' ' ' ARG . 40.5 t30 -60.0 -40.77 90.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.238 -0.913 . . . . 0.0 109.644 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.91 -40.0 91.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.215 -0.928 . . . . 0.0 109.368 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.24 -42.15 94.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.125 -0.984 . . . . 0.0 109.541 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' B' ' 43' ' ' THR . 76.5 p -60.05 -40.63 90.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.022 -1.049 . . . . 0.0 108.581 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.521 HH21 HD21 ' B' ' 37' ' ' ASN . 44.7 mtt-85 -67.7 -39.98 84.33 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.1 -41.45 86.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' B' ' 40' ' ' THR . 72.6 p -60.28 -40.04 89.01 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.883 -1.136 . . . . 0.0 109.321 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -42.79 97.74 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.004 -1.06 . . . . 0.0 108.463 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.62 -36.97 76.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.764 -0.585 . . . . 0.0 109.647 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.11 88.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.005 -1.059 . . . . 0.0 108.916 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -64.7 -42.7 95.11 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.887 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.57 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 59.2 m-85 -67.63 -40.02 84.64 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.286 -0.884 . . . . 0.0 110.128 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.578 ' CD2' HE22 ' B' ' 52' ' ' GLN . 42.6 mt -60.04 -40.38 89.2 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.795 -1.191 . . . . 0.0 109.046 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -60.05 -40.25 88.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.77 -1.207 . . . . 0.0 109.125 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -59.97 -39.54 86.04 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.564 -0.71 . . . . 0.0 109.626 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.578 HE22 ' CD2' ' B' ' 49' ' ' LEU . 1.6 pt20 -59.93 -38.77 83.33 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.709 -1.244 . . . . 0.0 109.013 -179.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.403 ' N ' ' HG2' ' B' ' 52' ' ' GLN . . . -58.91 -38.9 79.99 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 120.807 -1.183 . . . . 0.0 107.841 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.05 -39.6 86.52 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.305 -0.872 . . . . 0.0 109.055 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 41.1 mt -70.73 117.97 12.93 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.132 -0.98 . . . . 0.0 108.626 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -133.2 -62.7 0.79 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.4 -0.813 . . . . 0.0 110.647 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.759 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.64 117.72 4.45 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.066 -1.021 . . . . 0.0 109.672 -178.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.768 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 65.5 m95 -101.3 123.74 45.88 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.418 -0.801 . . . . 0.0 110.666 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.12 23.1 76.24 Favored Glycine 0 N--CA 1.497 2.703 0 C-N-CA 120.261 -0.971 . . . . 0.0 110.824 178.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.78 24.43 0.22 Allowed 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.941 -1.329 . . . . 0.0 110.228 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.401 ' HB1' ' OE1' ' B' ' 64' ' ' GLN . . . -157.98 109.93 2.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.803 -1.186 . . . . 0.0 110.461 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.447 ' CG ' ' NE2' ' C' ' 64' ' ' GLN . 35.0 m-85 -116.64 11.71 14.76 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.208 -0.932 . . . . 0.0 109.018 178.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -137.49 23.69 2.93 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLN . . . . . 0.438 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 18.0 mp0 -146.58 151.94 38.13 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 t -101.04 57.3 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.075 -1.016 . . . . 0.0 108.455 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.34 158.27 42.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.623 -0.673 . . . . 0.0 109.666 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -128.33 133.71 48.75 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.578 HG23 ' O ' ' B' ' 68' ' ' THR . 9.5 t -89.37 113.24 24.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.653 -1.28 . . . . 0.0 109.653 -178.373 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.02 122.82 47.38 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 90.9 t -128.73 82.32 68.92 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 121.345 -0.847 . . . . 0.0 109.706 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -87.08 61.43 4.05 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 C-N-CA 122.993 2.462 . . . . 0.0 111.199 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' B' ' 73' ' ' PRO . 17.6 t90 -70.1 129.89 90.26 Favored Pre-proline 0 C--N 1.301 -1.504 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.411 ' C ' ' O ' ' B' ' 72' ' ' TRP . 98.6 Cg_exo -41.21 147.91 0.29 Allowed 'Trans proline' 0 N--CA 1.487 1.1 0 C-N-CA 121.142 1.228 . . . . 0.0 110.887 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.585 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 10.7 t-20 -125.3 -53.16 1.61 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.247 -0.908 . . . . 0.0 109.416 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.95 125.07 34.31 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 38.8 t -81.86 107.66 14.76 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.7 mt -81.92 136.71 35.29 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.906 0.86 . . . . 0.0 110.185 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.4 ' O ' HG23 ' B' ' 78' ' ' THR . 1.8 t -94.12 112.84 58.94 Favored Pre-proline 0 N--CA 1.492 1.641 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -87.16 -47.66 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.169 0 C-N-CA 121.683 1.589 . . . . 0.0 114.475 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -121.23 -44.43 2.38 Favored 'General case' 0 N--CA 1.509 2.501 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -176.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.589 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -60.07 -45.75 91.86 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.508 -1.37 . . . . 0.0 112.709 -175.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.589 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.3 t30 -74.71 -46.56 36.77 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.128 -1.608 . . . . 0.0 110.583 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -60.08 -50.08 75.11 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.299 -0.876 . . . . 0.0 110.909 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.68 -45.16 95.21 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.789 -1.194 . . . . 0.0 109.284 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.8 p -68.36 -40.07 81.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.213 -0.93 . . . . 0.0 109.918 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -66.27 -40.07 89.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.046 -1.034 . . . . 0.0 109.211 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -60.0 -41.19 91.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.784 -1.198 . . . . 0.0 108.72 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.33 -40.0 96.09 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.16 -0.962 . . . . 0.0 108.527 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.546 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 72.6 t90 -60.06 -49.91 75.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.399 -0.813 . . . . 0.0 109.443 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -62.49 -42.35 99.44 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.063 -1.023 . . . . 0.0 109.73 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.484 ' HG2' HH11 ' B' ' 91' ' ' ARG . 0.9 OUTLIER -60.93 -42.46 98.21 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.121 -0.987 . . . . 0.0 110.247 -179.872 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -59.96 -42.46 94.13 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.83 -1.169 . . . . 0.0 109.615 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.27 -41.7 90.66 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.384 -0.823 . . . . 0.0 108.941 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.01 -45.1 93.86 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.229 -0.919 . . . . 0.0 109.874 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -61.46 -42.32 98.58 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.722 -1.236 . . . . 0.0 109.642 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.28 -40.11 89.86 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.073 -1.017 . . . . 0.0 109.46 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 97' ' ' GLU . . . . . 0.416 ' O ' HG23 ' B' ' 101' ' ' THR . 98.8 mt-10 -64.69 -40.06 94.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.045 -1.035 . . . . 0.0 109.846 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.39 -40.1 77.58 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.055 -1.028 . . . . 0.0 109.75 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.411 HD21 ' HA ' ' B' ' 99' ' ' ASN . 10.3 m120 -67.16 -39.95 86.58 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.935 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.9 mt -66.32 -40.2 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.25 -0.906 . . . . 0.0 109.344 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 101' ' ' THR . . . . . 0.416 HG23 ' O ' ' B' ' 97' ' ' GLU . 24.3 p -62.55 -41.42 98.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.242 -0.911 . . . . 0.0 109.77 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.61 96.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.219 -0.926 . . . . 0.0 109.778 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.79 -40.61 92.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.125 -0.984 . . . . 0.0 109.524 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.38 -40.97 96.86 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.095 -1.003 . . . . 0.0 108.998 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.16 -49.82 76.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.466 -0.771 . . . . 0.0 109.388 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.09 -41.23 99.35 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.086 -1.008 . . . . 0.0 108.952 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.9 79.73 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.341 -0.849 . . . . 0.0 109.722 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.09 -45.7 92.05 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.171 -0.955 . . . . 0.0 109.599 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.09 -49.28 84.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.219 -0.926 . . . . 0.0 109.13 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -67.94 -40.08 83.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.071 -1.018 . . . . 0.0 110.366 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -59.93 -44.88 94.08 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.283 -0.885 . . . . 0.0 109.937 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -66.01 -40.31 91.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.001 -1.062 . . . . 0.0 109.376 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -66.04 -40.27 90.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.108 -0.995 . . . . 0.0 109.536 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -62.48 -42.04 99.21 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.113 -0.992 . . . . 0.0 109.864 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 26.2 ttt -68.9 -39.94 79.45 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.129 -0.982 . . . . 0.0 108.689 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -60.34 -49.14 78.78 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.439 -0.788 . . . . 0.0 109.475 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.02 -40.12 88.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.245 -0.91 . . . . 0.0 109.103 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.01 -42.28 93.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.25 -0.906 . . . . 0.0 109.606 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.6 mt-30 -61.76 -40.07 93.84 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.096 -1.002 . . . . 0.0 109.845 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.18 -39.64 87.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.149 -0.969 . . . . 0.0 109.512 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.21 -49.2 77.88 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -121.35 59.91 0.95 Allowed 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.436 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.215 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -69.28 145.01 53.43 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.037 -1.039 . . . . 0.0 109.907 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 7.0 m -89.21 62.82 6.32 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.327 -0.858 . . . . 0.0 108.827 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.09 -40.07 94.61 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.617 -0.677 . . . . 0.0 109.315 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.517 HG23 ' N ' ' C' ' 6' ' ' LEU . 12.8 t -60.23 -42.22 94.78 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.269 -0.894 . . . . 0.0 109.013 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.517 ' N ' HG23 ' C' ' 5' ' ' THR . 64.4 tp -61.71 -40.91 96.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.106 -0.996 . . . . 0.0 108.367 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.01 -39.22 93.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.594 -0.692 . . . . 0.0 109.291 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -41.68 92.25 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.51 -46.63 75.62 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 108.797 -1.721 . . . . 0.0 108.797 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.17 -50.04 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.383 -1.069 . . . . 0.0 109.409 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 69.6 t -60.17 -44.42 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.115 -0.99 . . . . 0.0 108.903 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.02 -40.13 92.42 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.651 -0.656 . . . . 0.0 109.329 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.18 -41.88 93.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.864 . . . . 0.0 109.341 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -60.28 -40.66 91.2 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.146 -0.971 . . . . 0.0 109.465 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.14 -43.63 95.57 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.15 -0.969 . . . . 0.0 108.52 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -61.61 -46.08 91.35 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.254 -0.903 . . . . 0.0 109.545 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.18 -43.77 95.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.305 -0.872 . . . . 0.0 109.202 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.05 -45.09 94.0 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.395 -0.816 . . . . 0.0 108.988 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -60.42 -47.22 87.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.918 . . . . 0.0 109.543 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 78.8 t -59.97 -40.34 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.057 -1.027 . . . . 0.0 109.766 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.17 -42.03 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 120.897 -1.127 . . . . 0.0 108.542 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -60.47 -40.17 90.28 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' ARG . . . . . . . . . . . . . 31.0 mmt180 -60.27 -40.48 90.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.235 -0.916 . . . . 0.0 108.948 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.93 -40.13 92.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.217 -0.927 . . . . 0.0 109.575 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -59.91 -49.61 77.0 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.13 -0.981 . . . . 0.0 109.118 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.4 -44.47 95.66 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.323 -0.86 . . . . 0.0 109.314 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.6 tp -62.04 -40.97 97.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.38 -0.825 . . . . 0.0 109.448 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.01 -40.64 89.95 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.238 -0.913 . . . . 0.0 109.537 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' C' ' 29' ' ' ARG . 54.7 mtt-85 -60.97 -40.54 93.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.114 -0.991 . . . . 0.0 109.541 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.526 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 86.1 mt -61.77 -40.69 96.05 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.146 -0.972 . . . . 0.0 109.864 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.5 p -65.9 -40.03 91.13 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.14 -0.975 . . . . 0.0 109.493 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.55 -40.08 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.153 -0.967 . . . . 0.0 109.215 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -59.93 -44.15 94.52 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.361 -0.837 . . . . 0.0 109.923 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.29 -49.61 76.66 Favored Glycine 0 N--CA 1.485 1.923 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.1 -49.83 76.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.173 -1.192 . . . . 0.0 110.218 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -61.6 -40.22 94.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.976 -1.078 . . . . 0.0 110.057 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.522 HD21 HH21 ' C' ' 41' ' ' ARG . 41.0 t30 -60.38 -40.48 91.01 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.3 -0.875 . . . . 0.0 109.715 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.15 -40.2 92.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.346 -0.846 . . . . 0.0 109.368 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -60.3 -42.0 94.61 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.93 . . . . 0.0 109.585 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 68.1 p -60.14 -40.84 91.21 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.943 -1.098 . . . . 0.0 108.557 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.522 HH21 HD21 ' C' ' 37' ' ' ASN . 44.3 mtt-85 -67.47 -40.05 85.3 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.94 -41.58 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 119.751 -0.78 . . . . 0.0 108.986 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 74.8 p -59.98 -40.85 90.53 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.118 -0.989 . . . . 0.0 109.277 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.93 96.3 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.079 -1.013 . . . . 0.0 108.466 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.4 mt -61.62 -36.63 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.622 -0.674 . . . . 0.0 109.766 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.25 -40.49 90.47 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 108.657 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -64.25 -42.75 96.36 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.034 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 59.0 m-85 -67.72 -39.81 84.28 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.168 -0.958 . . . . 0.0 110.31 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 49' ' ' LEU . . . . . 0.577 ' CD2' HE22 ' C' ' 52' ' ' GLN . 43.9 mt -60.04 -40.62 90.04 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.662 -1.274 . . . . 0.0 109.054 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -60.21 -39.98 88.53 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.703 -1.248 . . . . 0.0 109.035 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.26 -39.63 87.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.352 -0.842 . . . . 0.0 109.746 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.577 HE22 ' CD2' ' C' ' 49' ' ' LEU . 1.6 pt20 -59.8 -38.26 81.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.97 -1.081 . . . . 0.0 108.946 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 53' ' ' ALA . . . . . 0.401 ' N ' ' HG2' ' C' ' 52' ' ' GLN . . . -59.32 -39.21 82.37 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.04 -39.56 86.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.335 -0.853 . . . . 0.0 108.906 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -70.82 117.95 12.98 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.131 -0.98 . . . . 0.0 108.599 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -133.17 -62.56 0.79 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.279 -0.888 . . . . 0.0 110.528 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.768 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -154.7 117.64 4.41 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.158 -0.964 . . . . 0.0 109.98 -178.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.752 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 63.6 m95 -101.25 123.68 45.74 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.342 -0.849 . . . . 0.0 110.874 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.92 23.31 75.93 Favored Glycine 0 N--CA 1.493 2.5 0 C-N-CA 120.079 -1.057 . . . . 0.0 110.661 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.73 24.22 0.22 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.763 -1.434 . . . . 0.0 110.04 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.74 110.48 2.42 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.836 -1.165 . . . . 0.0 110.442 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 62' ' ' PHE . . . . . 0.405 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 36.8 m-85 -117.04 11.78 14.35 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 121.335 -0.853 . . . . 0.0 109.338 177.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -137.8 24.05 2.85 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 177.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 64' ' ' GLN . . . . . 0.447 ' NE2' ' CG ' ' B' ' 62' ' ' PHE . 18.0 mp0 -146.39 152.0 38.37 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 t -101.29 57.28 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.947 -1.095 . . . . 0.0 108.105 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.27 158.29 42.6 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.627 -0.671 . . . . 0.0 109.695 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -128.52 133.84 48.52 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.597 HG23 ' O ' ' C' ' 68' ' ' THR . 9.0 t -89.47 113.18 24.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.634 -1.291 . . . . 0.0 109.624 -178.39 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.78 122.81 47.52 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.81 82.91 67.72 Favored Pre-proline 0 N--CA 1.496 1.825 0 O-C-N 121.362 -0.837 . . . . 0.0 109.481 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -87.52 61.49 3.71 Favored 'Trans proline' 0 C--N 1.314 -1.286 0 C-N-CA 122.845 2.363 . . . . 0.0 111.35 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -69.92 129.7 90.71 Favored Pre-proline 0 C--N 1.301 -1.528 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -41.11 147.98 0.26 Allowed 'Trans proline' 0 N--CA 1.488 1.181 0 C-N-CA 121.255 1.303 . . . . 0.0 110.92 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.57 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 10.6 t-20 -125.42 -53.33 1.59 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.259 -0.901 . . . . 0.0 109.274 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.63 125.14 34.2 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.047 -1.033 . . . . 0.0 108.216 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 40.7 t -82.02 107.2 14.54 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 28.4 mt -81.87 136.3 35.36 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.776 0.798 . . . . 0.0 110.222 -178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -93.73 113.09 59.47 Favored Pre-proline 0 C--N 1.299 -1.612 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -87.61 -48.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.138 0 C-N-CA 121.786 1.657 . . . . 0.0 114.41 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -120.7 -45.1 2.41 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.03 -1.044 . . . . 0.0 113.47 -177.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.586 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.1 p90 -59.74 -45.38 92.37 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.419 -1.426 . . . . 0.0 112.747 -175.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.586 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.4 t30 -74.95 -46.69 33.88 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.018 -1.677 . . . . 0.0 110.71 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -60.03 -50.44 73.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 110.845 -178.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.38 -44.71 95.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.877 -1.139 . . . . 0.0 109.256 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 46.6 p -68.77 -40.04 79.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.162 -0.962 . . . . 0.0 109.747 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -66.45 -39.85 89.11 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.873 -1.142 . . . . 0.0 109.386 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -60.07 -40.82 90.85 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.685 -1.259 . . . . 0.0 108.847 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.2 -40.0 96.25 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.123 -0.986 . . . . 0.0 108.721 178.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.526 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 72.8 t90 -60.03 -49.84 76.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.422 -0.798 . . . . 0.0 109.524 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -62.37 -42.62 99.55 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.246 -0.909 . . . . 0.0 109.511 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 91' ' ' ARG . . . . . 0.491 HH11 ' HG2' ' C' ' 91' ' ' ARG . 1.0 OUTLIER -61.25 -42.38 98.53 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.253 -0.904 . . . . 0.0 110.174 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.14 -42.83 95.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.653 -1.279 . . . . 0.0 109.445 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.76 -41.73 89.56 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.165 -0.959 . . . . 0.0 109.077 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.96 -45.5 92.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.13 -0.981 . . . . 0.0 109.988 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -61.02 -42.43 98.45 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.867 -1.146 . . . . 0.0 109.66 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.08 -40.2 90.66 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.194 -0.941 . . . . 0.0 109.421 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.81 -40.23 94.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.959 -1.088 . . . . 0.0 109.895 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.14 -39.95 78.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.929 . . . . 0.0 109.738 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -67.48 -40.04 85.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.05 -1.031 . . . . 0.0 109.831 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 89.6 mt -65.97 -40.03 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 120.986 -1.071 . . . . 0.0 109.413 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 24.2 p -62.84 -41.64 99.43 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.049 -1.032 . . . . 0.0 109.884 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.89 96.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.329 -0.857 . . . . 0.0 109.533 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.43 -40.45 93.31 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.085 -1.009 . . . . 0.0 109.626 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.35 -41.26 96.84 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.296 -0.878 . . . . 0.0 108.941 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.21 -49.71 76.56 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.326 -0.859 . . . . 0.0 109.507 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.84 -41.58 99.39 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.134 -0.979 . . . . 0.0 108.916 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 107' ' ' ALA . . . . . 0.431 ' HA ' HE22 ' B' ' 13' ' ' GLN . . . -60.36 -48.7 80.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.43 -0.794 . . . . 0.0 109.833 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.22 -45.6 92.65 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.256 -0.902 . . . . 0.0 109.617 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.6 mt -60.11 -49.51 83.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 121.419 -0.8 . . . . 0.0 109.242 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -67.9 -39.93 83.53 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.461 -0.775 . . . . 0.0 110.261 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -60.04 -44.97 94.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.175 -0.953 . . . . 0.0 109.973 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.92 -39.99 91.06 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.055 -1.028 . . . . 0.0 109.397 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -66.52 -39.97 88.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.334 -0.854 . . . . 0.0 109.856 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -62.63 -42.04 99.37 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.318 -0.864 . . . . 0.0 109.806 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 26.3 ttt -68.79 -40.4 79.64 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.017 -1.052 . . . . 0.0 108.599 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -60.06 -48.68 80.71 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.613 -0.68 . . . . 0.0 109.574 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.28 -40.0 88.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.487 -0.758 . . . . 0.0 109.42 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.09 -41.89 93.49 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.379 -0.826 . . . . 0.0 109.481 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.4 mt-30 -62.16 -40.51 96.25 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.941 -1.099 . . . . 0.0 109.766 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -60.09 -38.98 84.55 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.272 -0.893 . . . . 0.0 109.452 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 89.6 mt -58.61 -48.78 79.81 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -121.87 60.07 0.98 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.428 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.3 t . . . . . 0 N--CA 1.496 1.86 0 O-C-N 120.989 -1.069 . . . . 0.0 109.276 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.333 0.587 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.59 144.43 53.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.429 -0.795 . . . . 0.0 109.563 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -89.32 59.47 4.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.27 -0.894 . . . . 0.0 109.238 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -63.48 -39.96 95.84 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.434 -0.792 . . . . 0.0 109.132 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.523 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.8 t -59.95 -43.83 94.76 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.364 -0.835 . . . . 0.0 109.595 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.523 ' N ' HG23 ' A' ' 5' ' ' THR . 61.8 tp -62.6 -42.37 99.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.979 -1.075 . . . . 0.0 108.592 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.3 mt -60.76 -39.95 90.68 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.508 -0.745 . . . . 0.0 110.255 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.06 -1.025 . . . . 0.0 108.564 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.87 -45.4 57.81 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -49.61 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.283 -1.128 . . . . 0.0 109.963 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.05 -42.5 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 120.846 -1.159 . . . . 0.0 108.494 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -61.06 -40.01 92.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.375 -0.828 . . . . 0.0 109.893 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.544 ' OE1' ' NE2' ' B' ' 110' ' ' GLN . 34.6 tp60 -59.98 -41.87 92.97 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.259 -0.9 . . . . 0.0 109.386 -179.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -61.91 -40.62 96.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.119 -0.988 . . . . 0.0 109.066 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.15 -43.79 95.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.34 -0.85 . . . . 0.0 109.173 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.9 -42.63 98.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.346 -0.846 . . . . 0.0 108.942 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.5 mt -64.28 -40.9 96.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.351 -0.843 . . . . 0.0 109.688 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.3 -41.74 97.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.176 -0.953 . . . . 0.0 108.676 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -60.04 -49.99 75.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.169 -0.957 . . . . 0.0 109.948 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.4 t -59.96 -41.18 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.172 -0.955 . . . . 0.0 109.948 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.02 -42.74 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.24 -0.913 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 86.5 tttt -61.76 -41.25 97.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.6 -0.687 . . . . 0.0 109.472 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' HE ' HD11 ' B' ' 103' ' ' LEU . 54.8 mtt-85 -61.42 -39.98 92.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.417 -0.802 . . . . 0.0 109.961 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.97 -39.97 87.47 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.117 -0.989 . . . . 0.0 108.958 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -60.05 -49.7 76.61 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.063 -1.023 . . . . 0.0 109.718 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' A' ' 22' ' ' LYS . 2.7 mp0 -64.37 -41.46 96.71 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.682 -1.261 . . . . 0.0 109.315 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.451 HD23 HD13 ' B' ' 28' ' ' LEU . 31.2 tp -60.47 -40.7 92.17 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.354 -0.841 . . . . 0.0 109.04 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.442 HD13 HD23 ' C' ' 27' ' ' LEU . 19.4 mt -59.91 -40.37 88.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.453 -0.78 . . . . 0.0 109.271 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.22 -39.99 92.31 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.165 -0.959 . . . . 0.0 109.328 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.548 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 85.4 mt -62.46 -40.63 97.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.16 -0.963 . . . . 0.0 109.403 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.9 p -63.85 -39.93 95.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.985 -1.072 . . . . 0.0 109.328 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.26 -40.08 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.38 -0.825 . . . . 0.0 109.474 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -59.99 -47.2 86.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.382 -0.824 . . . . 0.0 110.512 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.49 -50.25 68.72 Favored Glycine 0 N--CA 1.487 2.044 0 C-N-CA 119.37 -1.395 . . . . 0.0 110.042 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.19 -50.02 75.31 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.954 -1.321 . . . . 0.0 109.913 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -61.16 -39.53 90.47 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.234 -0.916 . . . . 0.0 109.141 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.526 ' C ' HD21 ' A' ' 37' ' ' ASN . 0.4 OUTLIER -59.82 -39.68 85.9 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.322 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -59.84 -39.9 86.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.005 -1.059 . . . . 0.0 108.816 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -60.01 -40.02 87.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.955 -1.091 . . . . 0.0 109.284 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.7 p -59.93 -40.1 87.76 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.715 -1.241 . . . . 0.0 108.828 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.7 HH22 ' ND2' ' B' ' 82' ' ' ASN . 23.3 mtt-85 -62.6 -40.18 96.13 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.581 179.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.5 t -60.03 -41.82 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.608 -0.683 . . . . 0.0 109.273 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.6 p -59.98 -40.12 88.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.019 -1.05 . . . . 0.0 109.665 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.69 -40.04 84.4 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.35 -1.469 . . . . 0.0 108.559 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.52 -39.99 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.709 -0.619 . . . . 0.0 110.284 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -39.82 87.02 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 -179.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.14 -48.62 80.97 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.595 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 51.6 m-85 -61.43 -39.94 92.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.393 -0.817 . . . . 0.0 109.957 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.5 ' C ' HD22 ' A' ' 74' ' ' ASN . 53.9 mt -60.03 -39.27 85.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.934 -1.104 . . . . 0.0 108.734 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.09 -39.88 87.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.075 -1.016 . . . . 0.0 108.551 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.96 -39.89 87.18 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.07 -1.019 . . . . 0.0 109.32 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.511 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.9 OUTLIER -59.98 -39.58 86.2 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.952 -1.093 . . . . 0.0 109.182 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.27 -37.49 77.77 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.982 -1.074 . . . . 0.0 108.733 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -59.98 -39.61 86.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.225 -0.922 . . . . 0.0 108.647 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 61.2 mt -73.57 112.56 9.77 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.012 -1.055 . . . . 0.0 109.079 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.5 m120 -134.0 -69.57 0.53 Allowed 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.465 -0.772 . . . . 0.0 109.428 179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.61 88.04 1.47 Allowed 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.442 ' C ' ' H ' ' A' ' 60' ' ' ALA . 56.4 m95 -104.38 149.98 24.91 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.489 -0.757 . . . . 0.0 111.047 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 53.85 8.53 0.99 Allowed Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.482 ' HA ' ' HB1' ' B' ' 60' ' ' ALA . . . -72.73 22.94 0.06 Allowed 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.14 -1.212 . . . . 0.0 109.071 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -156.46 108.01 2.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.042 -1.036 . . . . 0.0 109.672 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -102.34 12.49 36.53 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.265 -0.897 . . . . 0.0 110.11 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.681 ' NE ' HH21 ' C' ' 63' ' ' ARG . 30.1 mmt180 -120.24 23.73 10.79 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 177.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -149.43 152.17 35.25 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.9 t -107.68 61.12 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.075 -1.016 . . . . 0.0 109.172 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.28 157.67 42.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.478 -0.764 . . . . 0.0 109.383 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -128.09 132.98 48.98 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 68' ' ' THR . 4.6 t -98.42 119.39 37.03 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.245 -0.909 . . . . 0.0 110.451 -178.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.9 121.24 43.34 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 65.3 t -126.84 83.28 65.91 Favored Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 121.427 -0.796 . . . . 0.0 109.35 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -79.84 65.73 8.86 Favored 'Trans proline' 0 N--CA 1.489 1.216 0 C-N-CA 122.301 2.001 . . . . 0.0 111.555 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.449 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 27.4 t90 -67.74 133.94 92.38 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -38.23 149.14 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.553 1.502 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.568 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 33.9 t-20 -127.61 -60.48 1.17 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.241 -0.912 . . . . 0.0 109.424 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.05 124.99 34.82 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.064 -1.023 . . . . 0.0 108.345 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.4 t -81.1 105.51 12.37 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.765 -1.209 . . . . 0.0 107.949 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.5 mt -82.18 136.57 35.1 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.477 0.656 . . . . 0.0 109.91 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 78' ' ' THR . 10.1 t -90.02 113.86 58.72 Favored Pre-proline 0 C--N 1.301 -1.512 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -90.27 -49.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 121.544 1.496 . . . . 0.0 114.487 -178.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -121.37 -44.7 2.36 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.235 -0.915 . . . . 0.0 113.206 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.685 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.8 p90 -59.99 -53.67 55.09 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.449 -1.407 . . . . 0.0 112.407 -176.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.685 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.2 OUTLIER -79.06 -39.98 32.44 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.128 -1.608 . . . . 0.0 109.914 -179.362 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.08 -47.32 86.39 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.253 -0.904 . . . . 0.0 109.108 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.21 -43.71 95.73 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.17 -0.956 . . . . 0.0 109.148 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 81' ' ' TRP . 74.6 p -69.35 -40.02 77.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.182 -0.949 . . . . 0.0 109.645 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -61.91 -40.63 96.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.015 -1.053 . . . . 0.0 109.489 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.03 -41.11 91.51 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.917 -1.114 . . . . 0.0 108.039 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.79 -40.01 95.63 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.52 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 65.4 t90 -59.94 -50.02 75.41 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.198 -0.938 . . . . 0.0 109.3 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.49 -41.41 97.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.031 -1.043 . . . . 0.0 109.269 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -61.78 -42.02 98.46 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.407 -0.808 . . . . 0.0 110.337 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.02 -42.99 95.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.771 -1.206 . . . . 0.0 108.814 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.4 -40.66 88.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.343 -0.848 . . . . 0.0 109.19 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -60.0 -46.48 89.33 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.251 -0.906 . . . . 0.0 110.479 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -66.45 -40.02 89.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.806 -1.184 . . . . 0.0 109.681 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.32 -42.14 79.8 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.141 -0.974 . . . . 0.0 108.976 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.79 -45.47 94.27 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.272 -0.893 . . . . 0.0 109.369 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -64.36 -40.42 95.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.249 -0.907 . . . . 0.0 109.683 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.37 -41.19 96.83 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.1 -1.0 . . . . 0.0 109.444 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.45 -44.45 98.85 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.288 -0.882 . . . . 0.0 109.798 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.8 p -62.97 -40.16 96.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.148 -0.97 . . . . 0.0 109.464 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.7 80.61 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.205 -0.934 . . . . 0.0 109.787 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.51 -41.05 98.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.111 -0.993 . . . . 0.0 109.729 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.9 -43.43 98.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.179 -0.951 . . . . 0.0 109.448 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.25 -46.99 87.87 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.215 -0.928 . . . . 0.0 108.624 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -65.56 -39.94 92.27 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.382 -0.824 . . . . 0.0 108.915 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.57 93.99 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.324 -0.86 . . . . 0.0 109.53 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -62.29 -41.53 98.58 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.017 -1.052 . . . . 0.0 109.472 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -70.02 -40.35 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.067 -1.02 . . . . 0.0 109.283 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.566 ' NE2' ' OE1' ' C' ' 13' ' ' GLN . 31.7 tt0 -70.0 -39.99 75.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.911 . . . . 0.0 109.599 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.08 -49.28 78.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.147 -0.971 . . . . 0.0 109.076 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.23 -43.1 96.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.156 -0.965 . . . . 0.0 109.381 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -60.13 -42.01 93.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.167 -0.958 . . . . 0.0 109.441 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -64.25 -40.02 95.15 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.052 -1.03 . . . . 0.0 109.029 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.0 ttt -68.47 -40.0 81.17 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.239 -0.913 . . . . 0.0 108.833 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -60.01 -44.42 94.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.512 -0.742 . . . . 0.0 109.751 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.56 -40.23 93.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.123 -0.986 . . . . 0.0 109.127 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.51 -43.3 97.2 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.542 -0.724 . . . . 0.0 109.565 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.3 mt-30 -60.19 -40.13 88.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -0.918 . . . . 0.0 109.731 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -60.91 -40.03 91.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.31 -0.869 . . . . 0.0 109.411 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.9 mt -59.97 -48.34 82.1 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -119.41 56.81 0.92 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 117.923 -1.037 . . . . 0.0 108.889 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -69.64 144.61 52.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.513 -0.742 . . . . 0.0 109.402 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.9 p -89.49 59.42 4.77 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.288 -0.883 . . . . 0.0 109.227 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -63.47 -39.99 95.93 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.444 -0.785 . . . . 0.0 109.206 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.523 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.9 t -60.0 -43.81 94.97 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.332 -0.855 . . . . 0.0 109.549 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.523 ' N ' HG23 ' B' ' 5' ' ' THR . 62.2 tp -62.51 -42.56 99.59 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.117 -0.989 . . . . 0.0 108.595 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 31.1 mt -60.59 -40.04 90.31 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.433 -0.792 . . . . 0.0 110.305 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.95 87.34 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.039 -1.038 . . . . 0.0 108.493 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.0 -45.32 57.47 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.039 -1.625 . . . . 0.0 109.039 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.02 -49.52 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.361 -1.082 . . . . 0.0 110.014 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 60.1 t -59.92 -42.7 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.96 -1.087 . . . . 0.0 108.541 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -61.14 -39.94 91.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.37 -0.831 . . . . 0.0 109.826 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.577 ' OE1' ' NE2' ' C' ' 110' ' ' GLN . 34.7 tp60 -60.05 -42.0 93.51 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 109.347 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -61.85 -40.71 96.27 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.098 -1.001 . . . . 0.0 109.124 179.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.1 -43.99 95.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.38 -0.825 . . . . 0.0 109.083 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.8 -42.49 97.72 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.223 -0.923 . . . . 0.0 108.941 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.9 mt -64.56 -40.25 95.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.297 -0.877 . . . . 0.0 109.782 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.9 -41.11 97.52 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.089 -1.007 . . . . 0.0 108.723 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.4 -50.07 75.06 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.22 -0.925 . . . . 0.0 109.909 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.91 -41.07 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.222 -0.924 . . . . 0.0 109.872 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.0 -43.48 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.152 -0.968 . . . . 0.0 109.211 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LYS . . . . . 0.43 ' O ' ' OE1' ' B' ' 26' ' ' GLU . 86.5 tttt -60.76 -41.31 95.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.577 -0.702 . . . . 0.0 109.701 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' B' ' 23' ' ' ARG . 55.3 mtt-85 -61.6 -39.93 93.0 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.408 -0.808 . . . . 0.0 109.983 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.05 -39.91 87.6 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.207 -0.933 . . . . 0.0 108.991 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -60.0 -50.02 75.38 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.17 -0.956 . . . . 0.0 109.577 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' B' ' 22' ' ' LYS . 2.6 mp0 -63.97 -41.83 97.42 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.764 -1.21 . . . . 0.0 109.342 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.468 HD23 HD13 ' C' ' 28' ' ' LEU . 31.9 tp -60.25 -40.46 90.37 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.353 -0.842 . . . . 0.0 109.106 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.451 HD13 HD23 ' A' ' 27' ' ' LEU . 19.4 mt -60.01 -40.53 89.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.374 -0.829 . . . . 0.0 109.4 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.91 -39.99 91.47 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.149 -0.969 . . . . 0.0 109.516 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.487 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 85.1 mt -62.4 -40.8 97.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.071 -1.018 . . . . 0.0 109.458 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 74.1 p -63.97 -39.96 95.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.952 -1.092 . . . . 0.0 109.317 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.09 -40.11 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -0.833 . . . . 0.0 109.459 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -59.93 -47.47 85.67 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.327 -0.858 . . . . 0.0 110.516 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.52 -49.98 71.49 Favored Glycine 0 N--CA 1.487 2.06 0 C-N-CA 119.364 -1.398 . . . . 0.0 110.036 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.23 -50.32 74.11 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.912 -1.346 . . . . 0.0 109.859 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -60.8 -39.53 89.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.317 -0.864 . . . . 0.0 109.234 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.529 ' C ' HD21 ' B' ' 37' ' ' ASN . 0.4 OUTLIER -60.0 -39.41 85.7 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -179.292 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.96 -39.93 87.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.041 -1.037 . . . . 0.0 109.023 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -59.96 -39.93 87.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.129 -0.982 . . . . 0.0 109.287 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 30.9 p -60.03 -40.13 88.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.776 -1.202 . . . . 0.0 108.811 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.654 HH22 ' ND2' ' C' ' 82' ' ' ASN . 23.5 mtt-85 -62.53 -40.03 95.48 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.426 -0.91 . . . . 0.0 108.625 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 65.0 t -60.22 -41.79 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 74.4 p -60.06 -40.04 88.06 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.035 -1.041 . . . . 0.0 109.56 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.87 -39.95 83.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.401 -1.437 . . . . 0.0 108.525 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.63 -39.96 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.708 -0.62 . . . . 0.0 110.266 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -39.77 86.83 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.858 -1.152 . . . . 0.0 108.256 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.01 -48.49 81.47 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.255 -0.903 . . . . 0.0 108.791 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.582 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 52.3 m-85 -61.55 -39.96 92.99 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.314 -0.866 . . . . 0.0 109.845 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.491 ' C ' HD22 ' B' ' 74' ' ' ASN . 52.9 mt -60.05 -39.28 85.42 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.012 -1.055 . . . . 0.0 108.862 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.04 -39.9 87.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.082 -1.011 . . . . 0.0 108.627 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.1 -39.82 87.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.056 -1.027 . . . . 0.0 109.232 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.501 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.9 OUTLIER -60.01 -39.69 86.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.97 -1.081 . . . . 0.0 109.139 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -59.24 -37.5 77.7 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.928 -1.107 . . . . 0.0 108.695 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -59.96 -39.78 86.77 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.198 -0.939 . . . . 0.0 108.617 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 60.9 mt -73.31 112.63 9.56 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.021 -1.049 . . . . 0.0 109.174 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -134.08 -69.64 0.53 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.369 -0.832 . . . . 0.0 109.314 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.71 88.3 1.47 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.448 ' C ' ' H ' ' B' ' 60' ' ' ALA . 56.2 m95 -104.56 150.06 24.96 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.503 -0.748 . . . . 0.0 110.945 -178.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 53.72 8.46 0.92 Allowed Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.488 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -72.37 23.16 0.05 Allowed 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.188 -1.183 . . . . 0.0 109.216 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.508 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -156.85 107.89 2.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.183 -0.948 . . . . 0.0 109.709 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -102.19 12.55 36.55 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.188 -0.945 . . . . 0.0 110.055 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.697 HH21 ' NE ' ' C' ' 63' ' ' ARG . 30.2 mmt180 -120.3 23.63 10.81 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 29.3 mp0 -149.38 152.18 35.33 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.6 t -107.57 60.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.13 -0.981 . . . . 0.0 109.106 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.24 157.55 42.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.301 -0.874 . . . . 0.0 109.423 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -127.8 133.03 49.43 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.412 HG23 ' O ' ' B' ' 68' ' ' THR . 4.7 t -98.4 119.43 37.08 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.203 -0.935 . . . . 0.0 110.426 -178.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.09 121.18 43.02 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 67.7 t -126.88 83.09 66.48 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.492 -0.755 . . . . 0.0 109.367 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.73 65.59 8.87 Favored 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.438 2.092 . . . . 0.0 111.627 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.443 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 28.2 t90 -67.59 133.7 92.69 Favored Pre-proline 0 C--N 1.301 -1.507 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.42 ' C ' ' O ' ' B' ' 72' ' ' TRP . 71.3 Cg_exo -38.11 149.08 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.604 1.536 . . . . 0.0 111.124 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.595 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 33.6 t30 -127.5 -60.72 1.17 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.244 -0.91 . . . . 0.0 109.386 -178.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.9 125.23 34.85 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.025 -1.047 . . . . 0.0 108.297 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 9.8 t -81.21 105.6 12.53 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 118.665 -1.214 . . . . 0.0 107.931 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 58.7 mt -82.5 136.52 34.86 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.525 0.678 . . . . 0.0 109.854 -178.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.657 HG23 ' O ' ' B' ' 78' ' ' THR . 10.2 t -89.78 113.76 58.12 Favored Pre-proline 0 C--N 1.302 -1.496 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -90.28 -49.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.529 1.486 . . . . 0.0 114.626 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -121.4 -44.81 2.35 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.122 -0.986 . . . . 0.0 113.17 -177.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.678 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.7 p90 -59.94 -53.75 54.14 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.479 -1.388 . . . . 0.0 112.454 -176.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.7 ' ND2' HH22 ' A' ' 41' ' ' ARG . 0.2 OUTLIER -79.03 -39.84 32.95 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 119.99 -1.693 . . . . 0.0 109.899 -179.433 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.0 -47.21 86.78 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.245 -0.909 . . . . 0.0 109.335 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.36 -43.7 96.27 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.105 -0.997 . . . . 0.0 109.114 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.481 HG23 ' O ' ' B' ' 81' ' ' TRP . 76.1 p -69.4 -40.0 77.6 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.217 -0.927 . . . . 0.0 109.628 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -62.02 -40.63 96.35 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.918 -1.114 . . . . 0.0 109.362 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.1 -40.98 91.53 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 118.894 -1.122 . . . . 0.0 108.19 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -63.76 -40.02 95.68 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.548 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 65.7 t90 -59.95 -50.04 75.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.172 -0.955 . . . . 0.0 109.196 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.75 -41.32 97.52 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.092 -1.005 . . . . 0.0 109.138 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -61.58 -42.27 98.61 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.411 -0.805 . . . . 0.0 110.281 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.96 -42.7 94.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.772 -1.205 . . . . 0.0 108.861 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.77 -40.5 88.86 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 121.301 -0.874 . . . . 0.0 109.206 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -59.96 -46.66 88.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.252 -0.905 . . . . 0.0 110.412 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -66.2 -40.26 90.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.908 -1.12 . . . . 0.0 109.587 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.96 -42.33 81.07 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.087 -1.008 . . . . 0.0 108.974 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.72 -45.91 92.43 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.219 -0.925 . . . . 0.0 109.3 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.85 -40.76 97.33 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.168 -0.957 . . . . 0.0 109.744 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.17 -41.12 97.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.084 -1.01 . . . . 0.0 109.466 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.49 -44.58 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.239 -0.913 . . . . 0.0 109.734 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 29.6 p -62.8 -40.49 97.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.043 -1.035 . . . . 0.0 109.462 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.95 -48.62 80.94 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.128 -0.983 . . . . 0.0 109.889 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' LEU . . . . . 0.418 HD11 ' HE ' ' A' ' 23' ' ' ARG . 96.1 mt -63.54 -41.14 98.47 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.019 -1.051 . . . . 0.0 109.649 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.85 -43.92 97.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.079 -1.013 . . . . 0.0 109.284 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.97 -46.55 89.07 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.009 -1.057 . . . . 0.0 108.75 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.66 -40.0 91.98 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.404 -0.81 . . . . 0.0 109.002 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.42 -44.69 93.85 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.36 -0.838 . . . . 0.0 109.51 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.22 -41.62 98.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.063 -1.023 . . . . 0.0 109.561 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.0 -40.53 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.025 -1.047 . . . . 0.0 109.235 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 110' ' ' GLN . . . . . 0.544 ' NE2' ' OE1' ' A' ' 13' ' ' GLN . 31.9 tt0 -69.67 -40.0 76.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.385 -0.822 . . . . 0.0 109.508 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -59.96 -49.76 76.42 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.129 -0.982 . . . . 0.0 109.085 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.91 -43.23 94.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.119 -0.988 . . . . 0.0 109.515 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -60.06 -41.59 92.71 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.248 -0.908 . . . . 0.0 109.528 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.7 -40.0 94.62 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.203 -0.936 . . . . 0.0 108.884 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 26.9 ttt -68.43 -39.97 81.35 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.32 -0.862 . . . . 0.0 108.768 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -60.06 -44.31 94.79 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.366 -0.834 . . . . 0.0 109.848 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.67 -40.22 94.2 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.074 -1.016 . . . . 0.0 109.074 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.54 -43.1 97.58 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.361 -0.837 . . . . 0.0 109.467 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.4 mt-30 -60.51 -40.07 90.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.236 -0.915 . . . . 0.0 109.723 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -60.65 -40.04 90.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.284 -0.885 . . . . 0.0 109.333 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.94 -48.49 81.5 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -119.41 56.91 0.91 Allowed 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.502 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.778 0 O-C-N 121.034 -1.041 . . . . 0.0 108.787 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -69.77 144.62 52.64 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.35 -0.844 . . . . 0.0 109.397 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 51.3 p -89.48 59.52 4.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.332 -0.855 . . . . 0.0 109.343 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -63.64 -39.99 95.75 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.418 -0.801 . . . . 0.0 109.113 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.512 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.9 t -60.03 -43.47 95.28 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.379 -0.825 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.512 ' N ' HG23 ' C' ' 5' ' ' THR . 61.6 tp -62.88 -41.99 99.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.064 -1.022 . . . . 0.0 108.676 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.6 mt -61.09 -39.96 91.9 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.481 -0.762 . . . . 0.0 110.163 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.1 87.79 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.96 -1.088 . . . . 0.0 108.622 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.58 -45.61 58.57 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.06 -49.39 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.36 -1.082 . . . . 0.0 109.952 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.0 -42.74 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.837 -1.164 . . . . 0.0 108.58 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -61.16 -39.9 91.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.482 -0.761 . . . . 0.0 109.908 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' GLN . . . . . 0.566 ' OE1' ' NE2' ' A' ' 110' ' ' GLN . 34.6 tp60 -60.0 -42.0 93.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.341 -0.849 . . . . 0.0 109.397 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -61.77 -40.89 96.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.099 -1.001 . . . . 0.0 109.193 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.09 -43.61 95.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.405 -0.809 . . . . 0.0 109.141 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.92 -42.33 97.89 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.189 -0.944 . . . . 0.0 109.043 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.84 -40.25 94.86 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.296 -0.878 . . . . 0.0 109.654 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.8 -41.7 98.08 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.908 -1.12 . . . . 0.0 108.61 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.05 -50.03 75.31 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.282 -0.886 . . . . 0.0 109.974 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 69.7 t -59.99 -41.03 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.187 -0.946 . . . . 0.0 109.785 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -43.61 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.296 -0.878 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' LYS . . . . . 0.428 ' O ' ' OE1' ' C' ' 26' ' ' GLU . 86.6 tttt -60.61 -41.81 95.54 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.533 -0.729 . . . . 0.0 109.608 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.413 ' HG2' HH11 ' C' ' 23' ' ' ARG . 55.5 mtt-85 -61.06 -40.03 92.12 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.324 -0.86 . . . . 0.0 109.921 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.95 -40.07 87.72 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.185 -0.947 . . . . 0.0 108.967 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -59.94 -50.06 75.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.121 -0.987 . . . . 0.0 109.713 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' C' ' 22' ' ' LYS . 2.8 mp0 -63.91 -41.5 97.66 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.744 -1.222 . . . . 0.0 109.439 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 27' ' ' LEU . . . . . 0.442 HD23 HD13 ' A' ' 28' ' ' LEU . 31.0 tp -60.67 -40.14 91.01 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.365 -0.835 . . . . 0.0 109.048 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 28' ' ' LEU . . . . . 0.468 HD13 HD23 ' B' ' 27' ' ' LEU . 19.3 mt -60.25 -40.61 90.9 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.392 -0.818 . . . . 0.0 109.326 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.93 -39.94 91.35 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.28 -0.887 . . . . 0.0 109.431 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.52 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 84.9 mt -62.66 -40.45 97.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.269 -0.894 . . . . 0.0 109.507 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.0 p -64.01 -39.98 95.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.104 -0.997 . . . . 0.0 109.213 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.11 -40.1 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.334 -0.854 . . . . 0.0 109.414 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -59.99 -47.5 85.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.381 -0.824 . . . . 0.0 110.514 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.22 -50.38 66.92 Favored Glycine 0 N--CA 1.486 2.029 0 C-N-CA 119.369 -1.396 . . . . 0.0 110.082 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.17 -50.0 75.41 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.074 -1.25 . . . . 0.0 109.917 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -61.08 -39.61 90.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.365 -0.835 . . . . 0.0 109.061 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.507 ' C ' HD21 ' C' ' 37' ' ' ASN . 0.4 OUTLIER -59.9 -39.69 86.23 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.317 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -59.89 -39.82 86.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.095 -1.003 . . . . 0.0 108.936 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -60.03 -39.95 87.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.0 109.159 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 31.0 p -59.94 -40.3 88.49 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.808 -1.182 . . . . 0.0 108.99 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.67 HH22 ' ND2' ' A' ' 82' ' ' ASN . 23.5 mtt-85 -62.35 -40.01 94.97 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.147 -0.971 . . . . 0.0 108.53 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 64.0 t -60.23 -41.59 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.654 -0.654 . . . . 0.0 109.337 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 72.2 p -60.24 -39.91 88.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.068 -1.02 . . . . 0.0 109.654 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.95 -40.02 83.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.468 -1.395 . . . . 0.0 108.338 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.53 -39.95 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.684 -0.635 . . . . 0.0 110.332 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -39.78 87.18 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.964 -1.085 . . . . 0.0 108.217 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.96 -48.41 81.83 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.195 -0.94 . . . . 0.0 108.775 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.568 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 51.6 m-85 -61.71 -39.98 93.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.36 -0.837 . . . . 0.0 109.838 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 49' ' ' LEU . . . . . 0.5 ' C ' HD22 ' C' ' 74' ' ' ASN . 53.4 mt -60.01 -39.21 85.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.955 -1.09 . . . . 0.0 108.809 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.04 -39.96 87.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.102 -0.998 . . . . 0.0 108.522 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.05 -39.89 87.57 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.163 -0.96 . . . . 0.0 109.206 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.503 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.9 OUTLIER -60.03 -39.5 86.11 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.012 -1.055 . . . . 0.0 109.13 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 53' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -59.32 -37.4 77.69 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.833 -1.167 . . . . 0.0 108.736 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -59.98 -39.62 86.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.303 -0.873 . . . . 0.0 108.76 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 62.3 mt -73.51 112.68 9.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.032 -1.043 . . . . 0.0 108.989 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -134.18 -69.74 0.52 Allowed 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.259 -0.901 . . . . 0.0 109.18 179.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.58 88.14 1.47 Allowed 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.44 ' C ' ' N ' ' C' ' 60' ' ' ALA . 57.4 m95 -104.24 149.82 24.96 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.472 -0.768 . . . . 0.0 111.019 -178.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.516 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 53.98 8.46 1.03 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 178.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.488 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -72.61 22.64 0.06 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.263 -1.14 . . . . 0.0 109.15 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.516 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.19 108.15 2.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.094 -1.004 . . . . 0.0 109.71 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -102.35 12.54 36.44 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.271 -0.893 . . . . 0.0 110.232 179.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 63' ' ' ARG . . . . . 0.697 ' NE ' HH21 ' B' ' 63' ' ' ARG . 30.3 mmt180 -120.29 23.65 10.81 Favored 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 177.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 29.1 mp0 -149.38 152.18 35.34 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 t -107.51 61.03 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.104 -0.997 . . . . 0.0 109.152 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.15 157.75 43.1 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.411 -0.805 . . . . 0.0 109.402 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -128.05 133.03 49.04 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.414 HG23 ' O ' ' C' ' 68' ' ' THR . 4.6 t -98.43 119.45 37.15 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.237 -0.914 . . . . 0.0 110.355 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.13 121.06 42.62 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 67.7 t -126.81 83.05 66.36 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.378 -0.826 . . . . 0.0 109.384 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.61 65.59 8.86 Favored 'Trans proline' 0 N--CA 1.489 1.262 0 C-N-CA 122.43 2.087 . . . . 0.0 111.655 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.444 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 27.3 t90 -67.59 133.8 92.69 Favored Pre-proline 0 C--N 1.301 -1.541 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.429 ' C ' ' O ' ' C' ' 72' ' ' TRP . 70.7 Cg_exo -38.15 149.27 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 121.462 1.441 . . . . 0.0 111.116 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.582 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 34.1 t30 -127.51 -60.83 1.16 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.274 -0.891 . . . . 0.0 109.476 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.89 125.29 34.87 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.0 t -81.39 105.58 12.68 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.016 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 58.5 mt -82.22 136.48 35.08 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.599 0.714 . . . . 0.0 109.864 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.655 HG23 ' O ' ' C' ' 78' ' ' THR . 10.2 t -89.98 114.11 59.61 Favored Pre-proline 0 C--N 1.301 -1.506 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.36 -49.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.106 0 C-N-CA 121.781 1.654 . . . . 0.0 114.642 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -121.66 -44.65 2.33 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.353 -0.842 . . . . 0.0 113.158 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.685 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.7 p90 -59.91 -54.14 49.6 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.472 -1.392 . . . . 0.0 112.347 -176.123 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.685 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.2 OUTLIER -78.8 -39.94 34.36 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.022 -1.674 . . . . 0.0 109.939 -179.326 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.04 -47.21 86.78 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.235 -0.916 . . . . 0.0 109.234 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.5 -43.61 96.85 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.032 -1.043 . . . . 0.0 109.078 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.477 HG23 ' O ' ' C' ' 81' ' ' TRP . 77.0 p -69.3 -40.07 77.9 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.148 -0.97 . . . . 0.0 109.59 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -61.99 -40.89 97.18 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.051 -1.031 . . . . 0.0 109.474 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.0 -40.94 90.91 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -63.64 -39.99 95.74 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.487 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 65.9 t90 -60.04 -50.01 75.41 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 0.0 109.288 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.71 -41.19 97.28 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.916 -1.115 . . . . 0.0 109.364 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -61.84 -41.94 98.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.581 -0.699 . . . . 0.0 110.283 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.06 -43.17 95.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.717 -1.239 . . . . 0.0 108.768 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.28 -40.51 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.389 -0.819 . . . . 0.0 109.27 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -60.02 -46.94 87.85 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.21 -0.931 . . . . 0.0 110.363 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -66.05 -40.18 90.74 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.852 -1.155 . . . . 0.0 109.674 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 92.0 mt -68.18 -42.24 80.27 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.349 -0.94 . . . . 0.0 108.906 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.79 -45.79 93.01 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.231 -0.918 . . . . 0.0 109.399 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.0 -40.67 96.88 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.225 -0.922 . . . . 0.0 109.702 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.94 -41.45 97.6 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.174 -0.953 . . . . 0.0 109.465 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.39 -44.38 98.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 121.323 -0.861 . . . . 0.0 109.804 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 27.2 p -63.11 -40.25 97.07 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.003 -1.06 . . . . 0.0 109.413 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.89 79.84 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.244 -0.91 . . . . 0.0 109.752 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.31 -41.23 98.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.051 -1.03 . . . . 0.0 109.693 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.82 -43.91 97.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.082 -1.011 . . . . 0.0 109.372 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.98 -46.82 88.21 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.04 -1.038 . . . . 0.0 108.676 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.59 -39.96 92.18 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.317 -0.865 . . . . 0.0 109.03 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.77 94.28 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.258 -0.901 . . . . 0.0 109.559 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.12 -41.62 98.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.996 -1.065 . . . . 0.0 109.624 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.02 -40.32 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.259 -0.901 . . . . 0.0 109.367 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 110' ' ' GLN . . . . . 0.577 ' NE2' ' OE1' ' B' ' 13' ' ' GLN . 31.8 tt0 -69.9 -39.98 75.9 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.364 -0.835 . . . . 0.0 109.558 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -60.14 -49.38 77.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -0.914 . . . . 0.0 109.066 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.18 -43.39 95.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.128 -0.983 . . . . 0.0 109.321 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -59.96 -41.69 92.46 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.228 -0.92 . . . . 0.0 109.474 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.51 -40.12 95.05 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.034 -1.041 . . . . 0.0 108.91 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.0 ttt -68.45 -39.97 81.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.301 -0.875 . . . . 0.0 108.737 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -59.98 -44.58 94.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.342 -0.849 . . . . 0.0 109.711 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.32 -40.2 93.35 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.087 -1.008 . . . . 0.0 109.17 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.67 -42.91 98.03 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.333 -0.855 . . . . 0.0 109.618 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.4 mt-30 -60.55 -40.69 92.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.873 . . . . 0.0 109.54 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -60.02 -40.02 87.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.25 -0.906 . . . . 0.0 109.695 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.98 -48.4 81.86 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -119.53 57.03 0.92 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.51 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 O-C-N 121.031 -1.043 . . . . 0.0 108.888 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.192 0.52 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 96.5 mt-30 -73.77 144.44 45.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.151 -0.968 . . . . 0.0 109.312 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -90.03 59.41 4.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.175 -0.953 . . . . 0.0 109.518 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -64.83 -39.91 94.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.331 -0.856 . . . . 0.0 109.31 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.503 HG23 ' N ' ' A' ' 6' ' ' LEU . 9.4 t -60.06 -41.21 91.87 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.257 -0.902 . . . . 0.0 109.288 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.503 ' N ' HG23 ' A' ' 5' ' ' THR . 60.5 tp -60.85 -42.68 98.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.194 -0.941 . . . . 0.0 108.598 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.12 -40.01 88.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.324 -0.86 . . . . 0.0 109.336 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.85 90.43 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.224 -0.922 . . . . 0.0 108.525 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.0 -48.59 69.32 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 108.781 -1.728 . . . . 0.0 108.781 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -48.74 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.446 -1.032 . . . . 0.0 109.879 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.98 -46.44 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.169 -0.957 . . . . 0.0 109.285 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.29 -39.89 88.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.139 -0.976 . . . . 0.0 109.532 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -60.02 -41.77 92.92 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.102 -0.999 . . . . 0.0 109.389 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -60.44 -40.09 89.84 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.936 -1.102 . . . . 0.0 109.153 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -60.0 -46.3 89.93 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.243 -0.911 . . . . 0.0 109.248 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -60.1 -44.24 94.99 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.095 -1.003 . . . . 0.0 109.427 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.55 -41.86 97.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.215 -0.928 . . . . 0.0 109.603 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.98 -46.0 90.88 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.302 -0.873 . . . . 0.0 109.126 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.93 -48.79 80.25 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.269 -0.895 . . . . 0.0 109.739 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 68.7 t -59.99 -41.71 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.081 -1.012 . . . . 0.0 109.087 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.99 -49.83 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.164 -0.96 . . . . 0.0 108.713 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.62 -40.38 94.61 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.259 -0.9 . . . . 0.0 108.782 178.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.548 ' NE ' ' OD1' ' B' ' 99' ' ' ASN . 34.4 ttm-85 -60.04 -40.0 87.84 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -59.94 -39.12 84.46 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.22 -0.925 . . . . 0.0 108.695 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.02 -47.38 86.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.088 -1.008 . . . . 0.0 109.182 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -62.02 -41.3 97.94 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.595 -1.315 . . . . 0.0 109.311 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.27 -41.03 92.43 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.158 -0.964 . . . . 0.0 109.192 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.96 -39.94 87.33 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.519 -0.738 . . . . 0.0 109.208 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.465 ' HG2' HH11 ' A' ' 29' ' ' ARG . 39.2 mtt-85 -60.1 -40.03 88.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.022 -1.049 . . . . 0.0 108.909 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.454 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 91.8 mt -60.72 -41.85 96.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.047 -1.033 . . . . 0.0 109.523 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.0 p -62.82 -39.92 95.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.919 -1.113 . . . . 0.0 109.268 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.23 -40.06 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -60.04 -42.85 95.33 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.37 -0.831 . . . . 0.0 110.47 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -47.58 90.34 Favored Glycine 0 N--CA 1.487 2.04 0 C-N-CA 119.545 -1.312 . . . . 0.0 109.845 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.3 m -60.07 -50.0 75.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.108 -1.231 . . . . 0.0 109.885 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -60.54 -40.0 89.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.05 -1.031 . . . . 0.0 110.103 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.556 HD22 ' NH2' ' A' ' 41' ' ' ARG . 7.0 t-20 -60.01 -40.21 88.47 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.106 -0.996 . . . . 0.0 109.577 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.421 ' O ' HG23 ' A' ' 42' ' ' VAL . 88.0 mt -61.29 -40.14 93.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.877 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.99 -41.87 92.99 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.061 -1.024 . . . . 0.0 109.551 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.2 p -60.61 -40.09 90.56 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.062 -1.024 . . . . 0.0 108.92 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.556 ' NH2' HD22 ' A' ' 37' ' ' ASN . 26.5 mtt-85 -69.12 -40.01 78.57 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 38' ' ' LEU . 53.0 t -59.96 -41.0 84.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.414 -0.804 . . . . 0.0 109.042 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.1 p -59.95 -40.05 87.66 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.053 -1.029 . . . . 0.0 109.396 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.29 -43.1 96.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.114 -0.991 . . . . 0.0 108.79 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.89 -37.86 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.555 -0.716 . . . . 0.0 109.422 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.87 -40.16 87.7 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.08 -1.013 . . . . 0.0 108.461 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.67 -46.32 90.78 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.445 -0.784 . . . . 0.0 109.164 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 38.1 m-85 -59.97 -40.04 87.69 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.493 -0.754 . . . . 0.0 110.065 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.04 -39.81 87.21 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.99 -1.069 . . . . 0.0 108.999 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -59.91 -39.9 87.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.982 -1.074 . . . . 0.0 108.688 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.0 -38.63 83.19 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.446 ' OE1' ' ND2' ' B' ' 74' ' ' ASN . 1.3 mp0 -59.9 -40.01 87.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 108.912 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.02 78.65 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.861 -1.149 . . . . 0.0 108.353 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.451 -0.78 . . . . 0.0 109.578 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.0 mt -70.66 117.52 12.29 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.122 -0.986 . . . . 0.0 108.767 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.563 ' CG ' ' H ' ' A' ' 70' ' ' VAL . 24.7 m120 -133.13 -60.61 0.85 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.311 -0.868 . . . . 0.0 110.768 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.69 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -153.52 116.14 4.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.105 -0.997 . . . . 0.0 110.382 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.686 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 92.1 m95 -101.62 124.35 47.12 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.523 -0.736 . . . . 0.0 110.351 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.437 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.16 24.22 73.29 Favored Glycine 0 N--CA 1.492 2.414 0 C-N-CA 120.072 -1.061 . . . . 0.0 110.949 178.498 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.497 ' HA ' ' HB1' ' B' ' 60' ' ' ALA . . . -76.36 22.7 0.16 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.715 -1.462 . . . . 0.0 109.447 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.57 112.0 1.89 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.178 -0.952 . . . . 0.0 109.75 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -108.64 12.95 25.52 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.343 -0.848 . . . . 0.0 109.932 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 69.3 mtm180 -135.74 24.35 3.38 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.221 -0.925 . . . . 0.0 108.631 177.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.8 mp0 -148.26 151.88 36.19 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -102.85 59.06 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.124 -0.985 . . . . 0.0 108.413 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.54 157.37 42.93 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.423 -0.798 . . . . 0.0 109.528 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -129.47 134.0 47.58 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.522 ' O ' HG23 ' A' ' 68' ' ' THR . 6.1 t -88.69 115.01 25.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.723 -1.236 . . . . 0.0 109.37 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 69' ' ' THR . 8.8 t -110.9 120.61 42.95 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.563 ' H ' ' CG ' ' A' ' 56' ' ' ASN . 89.4 t -122.93 83.35 50.25 Favored Pre-proline 0 N--CA 1.495 1.779 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -86.39 61.71 4.71 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.786 2.324 . . . . 0.0 111.642 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' A' ' 73' ' ' PRO . 27.3 t90 -70.05 130.76 89.48 Favored Pre-proline 0 N--CA 1.488 1.464 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' TRP . 91.4 Cg_exo -40.61 148.5 0.19 Allowed 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 121.32 1.347 . . . . 0.0 110.765 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.526 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 65.6 t30 -131.21 -38.65 1.2 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.205 -0.934 . . . . 0.0 109.225 -178.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.32 124.88 39.58 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.3 t -83.94 105.31 14.72 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.8 mt -83.2 134.75 34.95 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.651 0.738 . . . . 0.0 109.963 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 78' ' ' THR . 6.5 t -94.84 113.03 60.29 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.592 -0.692 . . . . 0.0 109.625 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -89.29 -48.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.219 0 C-N-CA 121.712 1.608 . . . . 0.0 113.584 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -122.29 -44.01 2.28 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.645 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.0 p90 -59.47 -49.88 76.09 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.411 -1.431 . . . . 0.0 112.911 -175.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.645 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 45.4 t30 -71.78 -42.72 66.79 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 119.867 -1.771 . . . . 0.0 109.943 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -60.03 -49.93 75.72 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.204 -0.935 . . . . 0.0 110.547 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.58 -43.12 99.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.81 -1.181 . . . . 0.0 109.936 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 81' ' ' TRP . 76.8 p -69.71 -40.05 76.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 109.277 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -68.0 -38.84 83.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.155 -0.966 . . . . 0.0 108.979 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -60.04 -39.98 87.81 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.237 -0.914 . . . . 0.0 108.694 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.77 -40.05 96.09 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.887 -1.133 . . . . 0.0 109.123 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.464 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 62.4 t90 -60.0 -49.97 75.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.203 -0.936 . . . . 0.0 111.045 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -67.23 -39.83 86.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.505 -1.372 . . . . 0.0 109.201 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.01 -41.19 91.59 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.233 -0.917 . . . . 0.0 110.059 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -60.06 -44.84 94.44 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.703 -1.248 . . . . 0.0 108.322 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.52 -40.1 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.29 -0.881 . . . . 0.0 109.071 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.03 -42.74 95.04 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.419 -0.8 . . . . 0.0 110.394 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -69.7 -40.0 76.57 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.858 -1.151 . . . . 0.0 109.095 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 68.6 mt -67.0 -40.03 87.23 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.186 -0.946 . . . . 0.0 108.877 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.42 ' OE2' ' NH2' ' A' ' 29' ' ' ARG . 88.9 tt0 -59.97 -46.54 89.1 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.343 -0.848 . . . . 0.0 109.49 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.04 -44.49 94.62 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.114 -0.991 . . . . 0.0 109.314 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.542 ' OD1' ' NE ' ' C' ' 23' ' ' ARG . 14.5 t-20 -62.26 -42.28 99.19 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.196 -0.94 . . . . 0.0 109.62 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.08 -46.68 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.026 -1.046 . . . . 0.0 109.034 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.8 p -61.36 -39.96 92.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.165 -0.959 . . . . 0.0 109.621 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.02 -46.57 89.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.156 -0.965 . . . . 0.0 109.579 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.2 mt -67.44 -39.97 85.41 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.983 -1.073 . . . . 0.0 108.903 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.55 -43.47 93.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.139 -0.976 . . . . 0.0 109.32 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.2 -43.49 95.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.243 -0.911 . . . . 0.0 109.269 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -68.77 -39.99 79.96 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.188 -0.945 . . . . 0.0 108.78 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.15 -44.45 97.31 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.422 -0.799 . . . . 0.0 109.599 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -60.03 -48.83 80.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.074 -1.016 . . . . 0.0 109.042 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.01 -50.04 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.311 -0.868 . . . . 0.0 109.447 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -64.68 -40.93 96.25 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.046 -1.034 . . . . 0.0 109.7 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -60.01 -49.4 77.83 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.196 -0.94 . . . . 0.0 109.838 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -62.72 -41.99 99.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.194 -0.942 . . . . 0.0 110.034 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -63.13 -39.99 96.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.066 -1.021 . . . . 0.0 109.894 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -63.76 -42.34 97.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.986 -1.071 . . . . 0.0 109.479 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 26.9 ttt -69.79 -40.06 76.21 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.102 -0.998 . . . . 0.0 108.684 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -60.04 -49.78 76.33 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.543 -0.723 . . . . 0.0 109.217 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.303 -0.873 . . . . 0.0 109.382 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.0 -41.51 92.27 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.243 -0.911 . . . . 0.0 109.273 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 123' ' ' SER . 93.3 mt-30 -60.78 -40.01 91.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.185 -0.947 . . . . 0.0 109.691 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -59.98 -39.16 84.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.15 -0.969 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.97 -46.82 88.2 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -126.44 61.55 1.3 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.618 -0.676 . . . . 0.0 109.435 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.494 1.772 0 O-C-N 121.064 -1.022 . . . . 0.0 109.22 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ALA . . . . . 0.41 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.196 0.522 . . . . 0.0 109.629 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -73.89 144.35 45.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.207 -0.933 . . . . 0.0 109.382 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -90.0 59.35 4.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.167 -0.958 . . . . 0.0 109.408 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -64.62 -40.07 94.82 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.399 -0.813 . . . . 0.0 109.395 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.49 HG23 ' N ' ' B' ' 6' ' ' LEU . 9.2 t -59.96 -40.95 90.81 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.23 -0.919 . . . . 0.0 109.437 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.49 ' N ' HG23 ' B' ' 5' ' ' THR . 61.3 tp -61.22 -42.43 98.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 108.7 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.08 -40.07 88.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.409 -0.807 . . . . 0.0 109.235 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.78 89.94 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.145 -0.972 . . . . 0.0 108.597 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.2 -48.58 68.53 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 178.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.07 -48.6 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.4 -1.059 . . . . 0.0 109.887 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.99 -46.42 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.175 -0.953 . . . . 0.0 109.392 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.26 -39.96 88.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.109 -0.995 . . . . 0.0 109.578 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -60.02 -41.72 92.77 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.07 -1.019 . . . . 0.0 109.314 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.57 -40.01 90.1 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.947 -1.096 . . . . 0.0 109.085 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.98 -46.34 89.76 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.263 -0.898 . . . . 0.0 109.178 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -60.06 -44.33 94.8 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.181 -0.949 . . . . 0.0 109.405 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.55 -41.84 97.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.257 -0.902 . . . . 0.0 109.567 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.05 -45.81 91.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.286 -0.884 . . . . 0.0 109.038 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -60.0 -48.85 80.02 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -0.936 . . . . 0.0 109.733 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 68.7 t -59.99 -41.66 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.04 -1.038 . . . . 0.0 109.048 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.94 -49.71 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.128 -0.982 . . . . 0.0 108.824 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -61.83 -40.34 94.94 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.248 -0.907 . . . . 0.0 108.714 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.531 ' NE ' ' OD1' ' C' ' 99' ' ' ASN . 34.1 ttm-85 -60.01 -40.01 87.77 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.697 -0.627 . . . . 0.0 109.311 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.05 -38.93 84.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.12 -0.987 . . . . 0.0 108.722 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.03 -47.27 86.55 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.022 -1.049 . . . . 0.0 109.252 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -62.28 -41.02 98.14 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.702 -1.249 . . . . 0.0 109.254 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.7 tp -60.57 -40.93 93.5 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.291 -0.88 . . . . 0.0 109.143 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.08 -39.94 87.81 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.565 -0.71 . . . . 0.0 109.177 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.468 ' HG2' HH11 ' B' ' 29' ' ' ARG . 39.4 mtt-85 -60.05 -40.34 89.08 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.125 -0.984 . . . . 0.0 108.847 -179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.481 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 93.7 mt -60.33 -41.66 94.0 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.039 -1.038 . . . . 0.0 109.52 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 77.8 p -63.06 -40.17 96.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.904 -1.123 . . . . 0.0 109.139 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.84 -40.0 83.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.546 -0.721 . . . . 0.0 109.123 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -60.08 -43.22 95.63 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.313 -0.867 . . . . 0.0 110.356 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.4 -47.86 88.82 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.881 -1.288 . . . . 0.0 109.881 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 87.2 m -60.0 -50.03 75.36 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.065 -1.256 . . . . 0.0 109.916 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -60.52 -40.07 90.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.073 -1.017 . . . . 0.0 110.037 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.541 HD22 ' NH2' ' B' ' 41' ' ' ARG . 6.8 t-20 -59.95 -40.48 89.17 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.12 -0.988 . . . . 0.0 109.483 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.419 ' O ' HG23 ' B' ' 42' ' ' VAL . 88.8 mt -61.02 -40.21 92.72 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.088 -1.007 . . . . 0.0 109.846 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.99 -42.01 93.3 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.107 -0.995 . . . . 0.0 109.59 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' B' ' 43' ' ' THR . 62.3 p -60.58 -40.08 90.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.098 -1.001 . . . . 0.0 108.949 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.541 ' NH2' HD22 ' B' ' 37' ' ' ASN . 27.2 mtt-85 -69.14 -40.0 78.5 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 38' ' ' LEU . 53.3 t -60.0 -40.97 84.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.349 -0.845 . . . . 0.0 108.977 179.419 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 40' ' ' THR . 43.1 p -60.06 -40.07 88.18 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.063 -1.023 . . . . 0.0 109.218 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.07 96.13 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.138 -0.976 . . . . 0.0 109.015 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.88 -37.81 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.567 -0.708 . . . . 0.0 109.3 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.02 -40.09 88.12 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.077 -1.014 . . . . 0.0 108.374 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.75 -46.27 91.08 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.347 -0.846 . . . . 0.0 109.018 178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.527 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 37.9 m-85 -59.95 -40.04 87.64 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.439 -0.788 . . . . 0.0 110.029 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.02 -39.66 86.62 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.986 -1.071 . . . . 0.0 109.112 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -60.06 -39.9 87.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.921 -1.112 . . . . 0.0 108.723 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.95 -38.75 83.33 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -59.87 -40.06 87.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.295 -0.878 . . . . 0.0 108.94 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.21 78.73 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.857 -1.152 . . . . 0.0 108.239 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -59.96 -40.06 87.73 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.415 -0.803 . . . . 0.0 109.61 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 77.4 mt -70.46 117.85 12.52 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.054 -1.029 . . . . 0.0 108.743 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.563 ' CG ' ' H ' ' B' ' 70' ' ' VAL . 24.9 m120 -133.49 -60.34 0.84 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.439 -0.788 . . . . 0.0 110.775 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.686 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -153.71 115.88 4.33 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.131 -0.981 . . . . 0.0 110.3 -178.712 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.696 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 92.3 m95 -101.6 124.27 46.98 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.516 -0.74 . . . . 0.0 110.367 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.12 24.42 73.28 Favored Glycine 0 N--CA 1.493 2.471 0 C-N-CA 120.14 -1.029 . . . . 0.0 110.886 178.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.497 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -76.59 22.91 0.17 Allowed 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.787 -1.419 . . . . 0.0 109.399 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.54 112.02 1.9 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.21 -0.931 . . . . 0.0 109.684 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -108.61 12.52 25.87 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.258 -0.901 . . . . 0.0 109.957 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -135.6 24.37 3.42 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.272 -0.893 . . . . 0.0 108.727 178.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 29.8 mp0 -148.15 151.95 36.46 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.4 t -103.02 59.27 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.64 157.62 43.19 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.548 -0.72 . . . . 0.0 109.475 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -129.77 133.84 47.23 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.506 HG23 ' O ' ' B' ' 68' ' ' THR . 6.1 t -88.57 115.06 25.82 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.783 -1.198 . . . . 0.0 109.405 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.558 HG23 ' O ' ' B' ' 69' ' ' THR . 8.8 t -110.88 120.77 43.5 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.563 ' H ' ' CG ' ' B' ' 56' ' ' ASN . 90.3 t -123.05 83.42 50.91 Favored Pre-proline 0 N--CA 1.496 1.834 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -86.38 61.71 4.72 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.862 2.375 . . . . 0.0 111.606 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.405 ' O ' ' C ' ' B' ' 73' ' ' PRO . 26.7 t90 -70.07 130.93 89.27 Favored Pre-proline 0 N--CA 1.489 1.488 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.405 ' C ' ' O ' ' B' ' 72' ' ' TRP . 93.3 Cg_exo -40.61 148.27 0.21 Allowed 'Trans proline' 0 N--CA 1.488 1.177 0 C-N-CA 121.272 1.315 . . . . 0.0 110.805 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.517 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 1.9 t-20 -130.9 -38.86 1.24 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.238 -0.913 . . . . 0.0 109.212 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.12 124.81 39.36 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 7.5 t -83.71 105.35 14.55 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.1 mt -83.23 134.89 34.93 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.609 0.719 . . . . 0.0 109.93 -178.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.579 HG23 ' O ' ' B' ' 78' ' ' THR . 6.2 t -94.86 113.11 60.47 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.578 -0.701 . . . . 0.0 109.569 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -89.37 -48.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.171 0 C-N-CA 121.669 1.58 . . . . 0.0 113.619 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -122.44 -43.43 2.29 Favored 'General case' 0 N--CA 1.506 2.346 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.651 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.1 p90 -60.01 -49.9 75.84 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.446 -1.409 . . . . 0.0 112.871 -175.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.651 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 45.8 t30 -72.0 -42.31 66.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 119.949 -1.719 . . . . 0.0 109.802 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -60.44 -50.09 74.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.328 -0.858 . . . . 0.0 110.41 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.39 -43.01 99.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.93 -1.106 . . . . 0.0 109.762 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 85' ' ' THR . . . . . 0.44 HG23 ' O ' ' B' ' 81' ' ' TRP . 77.1 p -70.01 -39.96 75.53 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.205 -0.935 . . . . 0.0 109.278 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -68.05 -38.78 82.86 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.236 -0.915 . . . . 0.0 108.951 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -60.06 -39.99 87.93 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.259 -0.901 . . . . 0.0 108.806 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.56 -40.12 95.83 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.816 -1.177 . . . . 0.0 109.136 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.454 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 62.0 t90 -59.98 -50.0 75.47 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.215 -0.928 . . . . 0.0 111.026 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -67.38 -39.8 85.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.686 -1.259 . . . . 0.0 109.037 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.0 -41.43 92.06 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.176 -0.952 . . . . 0.0 110.131 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -59.91 -44.66 94.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.569 -1.332 . . . . 0.0 108.455 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.63 -40.15 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.397 -0.815 . . . . 0.0 108.98 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 94' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 56.5 t0 -60.06 -43.0 95.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.297 -0.877 . . . . 0.0 110.182 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -69.37 -40.03 77.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.928 -1.107 . . . . 0.0 109.054 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 68.6 mt -67.16 -40.05 86.57 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.247 -0.908 . . . . 0.0 108.875 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' GLU . . . . . 0.412 ' OE2' ' NH2' ' B' ' 29' ' ' ARG . 89.0 tt0 -59.92 -46.37 89.57 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.285 -0.885 . . . . 0.0 109.483 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.02 -44.77 94.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.12 -0.987 . . . . 0.0 109.269 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.548 ' OD1' ' NE ' ' A' ' 23' ' ' ARG . 14.4 t-20 -61.99 -42.3 98.99 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.249 -0.907 . . . . 0.0 109.61 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 93.2 mt -60.02 -46.24 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.148 -0.97 . . . . 0.0 109.197 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 68.3 p -62.05 -40.03 94.39 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.222 -0.924 . . . . 0.0 109.489 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.95 -46.44 89.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.197 -0.939 . . . . 0.0 109.575 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -67.36 -39.96 85.75 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.063 -1.023 . . . . 0.0 109.034 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.69 -43.48 93.37 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.954 . . . . 0.0 109.219 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.14 -43.49 95.69 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.105 -0.997 . . . . 0.0 109.327 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.77 -39.95 79.97 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.275 -0.891 . . . . 0.0 108.85 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.49 97.2 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.444 -0.785 . . . . 0.0 109.598 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -59.94 -48.68 80.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.036 -1.04 . . . . 0.0 109.004 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 91.6 mt -59.99 -50.03 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.254 -0.904 . . . . 0.0 109.534 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -64.94 -40.89 95.71 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.019 -1.051 . . . . 0.0 109.665 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -60.01 -49.46 77.59 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.228 -0.92 . . . . 0.0 109.912 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -62.53 -41.94 99.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.891 . . . . 0.0 110.107 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -63.31 -39.97 96.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.164 -0.96 . . . . 0.0 109.957 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -63.61 -42.52 98.22 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.068 -1.02 . . . . 0.0 109.532 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 26.8 ttt -69.64 -40.11 76.72 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.139 -0.976 . . . . 0.0 108.642 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -60.0 -49.79 76.27 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.591 -0.693 . . . . 0.0 109.227 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -40.03 88.09 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.317 -0.864 . . . . 0.0 109.545 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.94 -41.49 91.93 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.328 -0.858 . . . . 0.0 109.265 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' B' ' 123' ' ' SER . 93.4 mt-30 -60.69 -40.08 90.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.13 -0.981 . . . . 0.0 109.718 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -60.02 -39.17 84.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.168 -0.958 . . . . 0.0 109.246 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.9 -46.86 88.0 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -126.23 61.32 1.29 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.573 -0.704 . . . . 0.0 109.456 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.545 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.823 0 O-C-N 121.009 -1.057 . . . . 0.0 109.101 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 1' ' ' ALA . . . . . 0.414 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 2' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 96.3 mt-30 -73.93 144.31 45.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.243 -0.91 . . . . 0.0 109.374 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -89.87 59.33 4.55 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.173 -0.955 . . . . 0.0 109.427 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -64.57 -40.07 94.89 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.348 -0.845 . . . . 0.0 109.344 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.49 HG23 ' N ' ' C' ' 6' ' ' LEU . 8.8 t -59.98 -41.26 91.62 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.174 -0.954 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.49 ' N ' HG23 ' C' ' 5' ' ' THR . 61.1 tp -60.75 -42.68 97.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.148 -0.97 . . . . 0.0 108.762 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 20.8 mt -60.22 -39.88 88.19 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.45 -0.781 . . . . 0.0 109.27 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.75 90.39 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.187 -0.946 . . . . 0.0 108.523 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.08 -48.61 68.7 Favored Glycine 0 N--CA 1.487 2.071 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.06 -48.68 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.387 -1.067 . . . . 0.0 109.871 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.96 -46.33 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.109 -0.994 . . . . 0.0 109.399 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.36 -39.9 88.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.145 -0.972 . . . . 0.0 109.516 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -60.1 -41.89 93.49 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.098 -1.001 . . . . 0.0 109.358 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -60.38 -40.0 89.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.945 -1.097 . . . . 0.0 109.126 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.05 -46.36 89.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.262 -0.899 . . . . 0.0 109.136 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -59.99 -44.52 94.46 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.111 -0.993 . . . . 0.0 109.298 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.36 -42.11 98.16 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.0 109.571 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.92 -45.73 91.66 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.303 -0.873 . . . . 0.0 109.167 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -59.94 -49.02 79.33 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.21 -0.931 . . . . 0.0 109.745 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.94 -41.58 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.156 -0.965 . . . . 0.0 108.941 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.0 -49.88 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.084 -1.01 . . . . 0.0 108.718 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.69 -40.25 94.34 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.231 -0.918 . . . . 0.0 108.793 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.542 ' NE ' ' OD1' ' A' ' 99' ' ' ASN . 34.4 ttm-85 -60.03 -40.01 87.86 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.632 -0.667 . . . . 0.0 109.33 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -59.99 -39.14 84.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.105 -0.997 . . . . 0.0 108.698 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -59.94 -47.23 86.64 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.981 -1.075 . . . . 0.0 109.204 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -62.31 -41.02 98.18 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.576 -1.327 . . . . 0.0 109.216 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.74 -40.58 92.95 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.331 -0.855 . . . . 0.0 109.235 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.0 -40.02 87.76 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.452 -0.78 . . . . 0.0 109.239 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 29' ' ' ARG . . . . . 0.466 ' HG2' HH11 ' C' ' 29' ' ' ARG . 39.4 mtt-85 -60.01 -40.47 89.38 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.995 -1.065 . . . . 0.0 108.865 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.464 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 93.1 mt -60.24 -41.95 94.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.035 -1.041 . . . . 0.0 109.553 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.5 p -62.89 -40.13 96.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.893 -1.129 . . . . 0.0 109.184 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.91 -40.05 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.425 -0.797 . . . . 0.0 109.082 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -59.98 -43.08 95.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.37 -0.831 . . . . 0.0 110.379 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.71 -47.73 89.5 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 85.1 m -60.02 -50.01 75.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.117 -1.225 . . . . 0.0 109.929 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -60.59 -39.97 90.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.073 -1.017 . . . . 0.0 110.088 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 37' ' ' ASN . . . . . 0.55 HD22 ' NH2' ' C' ' 41' ' ' ARG . 6.9 t-20 -60.07 -40.36 89.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.162 -0.961 . . . . 0.0 109.526 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.407 ' O ' HG23 ' C' ' 42' ' ' VAL . 89.0 mt -61.0 -40.3 92.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.173 -0.954 . . . . 0.0 109.92 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.94 -42.09 93.25 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.177 -0.952 . . . . 0.0 109.572 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 62.3 p -60.5 -40.0 89.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.01 -1.056 . . . . 0.0 108.906 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.55 ' NH2' HD22 ' C' ' 37' ' ' ASN . 26.1 mtt-85 -69.3 -39.94 78.0 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.184 -0.948 . . . . 0.0 108.553 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 42' ' ' VAL . . . . . 0.407 HG23 ' O ' ' C' ' 38' ' ' LEU . 53.1 t -60.05 -41.01 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.421 -0.799 . . . . 0.0 108.856 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 42.7 p -60.01 -40.03 87.82 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.016 -1.053 . . . . 0.0 109.331 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.03 96.12 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.041 -1.037 . . . . 0.0 108.862 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.86 -37.84 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.538 -0.726 . . . . 0.0 109.363 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -60.01 -40.07 87.96 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.063 -1.023 . . . . 0.0 108.447 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.67 -46.1 91.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.363 -0.836 . . . . 0.0 109.132 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 37.9 m-85 -60.14 -39.96 88.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.485 -0.759 . . . . 0.0 110.122 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.04 -39.88 87.47 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.106 -0.996 . . . . 0.0 108.967 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -59.92 -39.95 87.18 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.984 -1.072 . . . . 0.0 108.605 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -59.93 -38.83 83.5 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -59.95 -39.95 87.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.401 -0.812 . . . . 0.0 108.909 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.17 -38.07 78.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.853 -1.154 . . . . 0.0 108.183 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.94 -40.05 87.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.338 -0.851 . . . . 0.0 109.729 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 77.9 mt -70.55 117.75 12.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.045 -1.034 . . . . 0.0 108.734 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 56' ' ' ASN . . . . . 0.526 ' CG ' ' H ' ' C' ' 70' ' ' VAL . 24.7 m120 -133.28 -60.63 0.84 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.299 -0.876 . . . . 0.0 110.681 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.696 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -153.5 116.28 4.49 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.067 -1.02 . . . . 0.0 110.247 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.69 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 92.1 m95 -101.83 124.29 47.21 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.488 -0.757 . . . . 0.0 110.348 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.15 24.53 73.35 Favored Glycine 0 N--CA 1.49 2.284 0 C-N-CA 120.176 -1.011 . . . . 0.0 110.897 178.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.473 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -76.61 22.73 0.17 Allowed 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.791 -1.417 . . . . 0.0 109.384 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.52 111.74 1.88 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.206 -0.934 . . . . 0.0 109.781 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -108.35 12.72 26.15 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.319 -0.863 . . . . 0.0 110.037 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 69.1 mtm180 -135.62 24.39 3.41 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.263 -0.898 . . . . 0.0 108.596 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 30.0 mp0 -148.21 151.88 36.25 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -102.79 59.06 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.71 157.36 42.87 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.461 -0.774 . . . . 0.0 109.551 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -129.24 134.2 47.87 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.515 HG23 ' O ' ' C' ' 68' ' ' THR . 6.0 t -88.91 114.96 26.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.739 -1.226 . . . . 0.0 109.37 -178.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 69' ' ' THR . . . . . 0.57 HG23 ' O ' ' C' ' 69' ' ' THR . 8.8 t -110.96 120.71 43.3 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 70' ' ' VAL . . . . . 0.526 ' H ' ' CG ' ' C' ' 56' ' ' ASN . 91.1 t -122.86 83.51 49.78 Favored Pre-proline 0 N--CA 1.494 1.76 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -86.53 61.77 4.59 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.831 2.354 . . . . 0.0 111.663 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 72' ' ' TRP . . . . . 0.41 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 26.3 t90 -69.95 130.79 89.6 Favored Pre-proline 0 C--N 1.303 -1.455 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 73' ' ' PRO . . . . . 0.41 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 91.5 Cg_exo -40.42 148.84 0.17 Allowed 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 121.325 1.35 . . . . 0.0 110.781 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.527 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 65.3 t30 -131.54 -38.5 1.17 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.164 -0.96 . . . . 0.0 109.232 -179.009 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.62 124.52 39.68 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.9 t -83.54 105.28 14.35 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 38.7 mt -83.08 134.97 34.99 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 121.577 0.703 . . . . 0.0 109.849 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.58 HG23 ' O ' ' C' ' 78' ' ' THR . 6.0 t -95.13 113.08 60.65 Favored Pre-proline 0 N--CA 1.495 1.775 0 O-C-N 121.643 -0.661 . . . . 0.0 109.462 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -89.37 -48.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.227 0 C-N-CA 121.576 1.518 . . . . 0.0 113.511 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -122.2 -43.54 2.31 Favored 'General case' 0 N--CA 1.506 2.358 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -177.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.657 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.1 p90 -60.04 -49.52 77.34 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.418 -1.426 . . . . 0.0 112.834 -175.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.657 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 45.6 t30 -72.14 -42.61 65.8 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 119.952 -1.717 . . . . 0.0 109.829 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.05 -50.0 75.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.923 . . . . 0.0 110.453 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.63 -42.85 99.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.776 -1.203 . . . . 0.0 109.775 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 85' ' ' THR . . . . . 0.437 HG23 ' O ' ' C' ' 81' ' ' TRP . 77.2 p -70.06 -39.99 75.33 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.084 -1.01 . . . . 0.0 109.239 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 46.1 t-105 -67.95 -38.61 83.01 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.341 -0.849 . . . . 0.0 109.001 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -60.08 -39.99 87.99 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.128 -0.983 . . . . 0.0 108.846 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -62.8 -39.94 95.81 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.758 -1.214 . . . . 0.0 109.18 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.481 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.5 t90 -60.02 -50.03 75.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.362 -0.836 . . . . 0.0 110.859 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -67.33 -39.95 85.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.62 -1.3 . . . . 0.0 109.108 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -59.98 -41.17 91.41 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.144 -0.972 . . . . 0.0 110.128 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -60.1 -44.54 94.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.688 -1.258 . . . . 0.0 108.476 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.82 -40.01 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.442 -0.786 . . . . 0.0 108.93 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 94' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' C' ' 94' ' ' ASP . 57.1 t0 -59.98 -42.69 94.74 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.524 -0.735 . . . . 0.0 110.316 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -69.88 -39.96 75.98 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.922 -1.111 . . . . 0.0 109.015 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 70.8 mt -67.06 -40.08 87.02 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.252 -0.905 . . . . 0.0 108.866 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 97' ' ' GLU . . . . . 0.42 ' OE2' ' NH2' ' C' ' 29' ' ' ARG . 88.9 tt0 -59.97 -46.39 89.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.262 -0.899 . . . . 0.0 109.521 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -44.68 94.45 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.093 -1.004 . . . . 0.0 109.231 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 99' ' ' ASN . . . . . 0.531 ' OD1' ' NE ' ' B' ' 23' ' ' ARG . 14.4 t-20 -62.12 -42.08 98.88 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.235 -0.916 . . . . 0.0 109.668 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.1 -46.99 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.028 -1.045 . . . . 0.0 108.939 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 71.6 p -61.22 -40.1 92.74 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.246 -0.909 . . . . 0.0 109.705 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.91 -46.35 89.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.096 -1.002 . . . . 0.0 109.673 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.41 -40.01 85.53 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.064 -1.022 . . . . 0.0 108.951 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.67 -43.54 93.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.212 -0.93 . . . . 0.0 109.251 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.02 -43.59 95.15 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.222 -0.924 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.69 -40.01 80.27 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.225 -0.922 . . . . 0.0 108.839 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.39 97.36 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.415 -0.803 . . . . 0.0 109.612 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -60.01 -48.77 80.32 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.148 -0.97 . . . . 0.0 109.025 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.0 -50.01 81.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.564 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -64.87 -40.8 95.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.069 -1.019 . . . . 0.0 109.709 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -60.07 -49.28 78.27 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.243 -0.911 . . . . 0.0 109.79 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.97 -41.9 99.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.296 -0.877 . . . . 0.0 109.99 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.21 -40.01 96.26 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.048 -1.032 . . . . 0.0 109.983 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -63.23 -42.51 99.23 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.087 -1.008 . . . . 0.0 109.653 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 26.9 ttt -69.87 -40.04 75.95 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.088 -1.007 . . . . 0.0 108.673 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -60.06 -49.8 76.21 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.339 -0.851 . . . . 0.0 109.39 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.94 -41.32 91.58 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.245 -0.91 . . . . 0.0 109.5 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' C' ' 123' ' ' SER . 93.4 mt-30 -60.98 -40.03 91.89 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.085 -1.01 . . . . 0.0 109.611 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -59.95 -39.04 84.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.174 -0.954 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.99 -46.75 88.45 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -126.47 61.44 1.3 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.547 -0.721 . . . . 0.0 109.425 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.545 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.824 0 O-C-N 120.981 -1.074 . . . . 0.0 109.11 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -68.68 143.36 54.77 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.336 -0.852 . . . . 0.0 109.127 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -90.0 61.16 5.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.214 -0.928 . . . . 0.0 109.007 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.405 HH11 ' HG3' ' A' ' 4' ' ' ARG . 34.6 mtm-85 -62.79 -39.95 95.8 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.448 -0.782 . . . . 0.0 109.212 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 6' ' ' LEU . 7.9 t -59.99 -42.82 95.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.188 -0.945 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.517 ' N ' HG23 ' A' ' 5' ' ' THR . 59.2 tp -62.7 -40.03 95.87 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.073 -1.017 . . . . 0.0 109.345 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.9 mt -64.97 -38.99 92.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.369 -0.832 . . . . 0.0 109.958 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.05 88.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.034 -1.041 . . . . 0.0 108.793 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.94 -47.32 60.91 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 108.687 -1.765 . . . . 0.0 108.687 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.91 -49.12 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.34 -1.094 . . . . 0.0 109.018 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.95 -43.26 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.0 108.935 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.4 -40.04 92.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.308 -0.87 . . . . 0.0 109.256 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.03 -42.15 93.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.26 -0.9 . . . . 0.0 109.451 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -60.13 -42.13 94.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.97 -1.081 . . . . 0.0 109.024 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -60.0 -47.25 86.62 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.345 -0.847 . . . . 0.0 109.191 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.04 -42.29 94.1 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.239 -0.913 . . . . 0.0 109.615 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.33 -43.07 99.68 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.164 -0.96 . . . . 0.0 108.907 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.01 -44.33 94.64 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.481 -0.762 . . . . 0.0 109.272 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 19' ' ' ASP . 53.3 t0 -60.12 -46.77 88.51 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.085 -1.009 . . . . 0.0 109.799 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.2 -40.0 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.998 -1.064 . . . . 0.0 109.571 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.04 -41.84 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.125 -0.984 . . . . 0.0 108.553 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.44 -41.38 93.9 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.631 -0.668 . . . . 0.0 109.376 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.471 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 32.0 mmt180 -60.59 -41.12 94.05 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 109.752 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.12 -39.92 87.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.144 -0.973 . . . . 0.0 109.262 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -60.01 -46.1 90.61 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.251 -0.906 . . . . 0.0 109.215 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.83 -40.17 94.75 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.122 -0.986 . . . . 0.0 109.424 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.0 tp -64.18 -40.3 95.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 109.177 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.16 -40.15 88.9 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.369 -0.832 . . . . 0.0 109.354 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.69 -40.79 93.5 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.363 -0.835 . . . . 0.0 109.817 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.554 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.7 mt -62.81 -40.81 98.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.213 -0.929 . . . . 0.0 109.773 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -62.54 -39.93 95.19 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.957 -1.089 . . . . 0.0 109.381 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.46 -39.96 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.288 -0.882 . . . . 0.0 109.256 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -59.97 -42.6 94.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.205 -0.935 . . . . 0.0 110.102 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -48.77 84.43 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -59.95 -50.09 75.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.142 -1.211 . . . . 0.0 109.937 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -61.04 -40.02 92.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.098 -1.001 . . . . 0.0 110.025 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -59.95 -40.79 90.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.128 -0.983 . . . . 0.0 109.266 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.87 -39.92 91.04 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.232 -0.918 . . . . 0.0 109.858 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -60.02 -40.34 88.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.976 -1.077 . . . . 0.0 109.775 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.2 p -60.05 -40.37 89.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.029 -1.045 . . . . 0.0 108.42 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.536 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 37.4 mtt-85 -68.96 -40.0 79.15 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.502 -0.748 . . . . 0.0 109.017 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.0 -42.59 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.21 -0.931 . . . . 0.0 108.651 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.2 p -59.99 -40.04 87.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.946 -1.096 . . . . 0.0 109.015 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.13 94.66 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.912 . . . . 0.0 108.61 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.6 mt -59.96 -39.29 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.638 -0.664 . . . . 0.0 109.368 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.99 -39.99 87.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.148 -0.97 . . . . 0.0 109.34 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -64.61 -39.96 94.64 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.795 -1.191 . . . . 0.0 109.681 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 54.2 m-85 -66.24 -39.62 89.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.912 -1.117 . . . . 0.0 109.533 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.715 HD23 HE22 ' A' ' 52' ' ' GLN . 82.2 mt -60.07 -39.94 87.82 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.182 -0.949 . . . . 0.0 108.595 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -60.01 -39.96 87.6 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.827 -1.17 . . . . 0.0 108.655 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -60.02 -39.2 85.01 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.234 -0.916 . . . . 0.0 108.881 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.735 ' NE2' ' NE2' ' B' ' 52' ' ' GLN . 10.0 mt-30 -59.97 -40.03 87.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.034 -1.041 . . . . 0.0 109.128 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.87 -39.98 75.32 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -59.99 -39.56 86.17 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.72 114.84 7.43 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.3 -0.875 . . . . 0.0 108.715 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -134.83 -65.54 0.62 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.35 -0.844 . . . . 0.0 110.714 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.762 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -153.94 116.38 4.37 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.42 -0.8 . . . . 0.0 109.824 -178.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.77 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 82.2 m95 -100.04 125.52 46.11 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.416 -0.802 . . . . 0.0 110.175 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 64.91 27.3 72.0 Favored Glycine 0 N--CA 1.489 2.231 0 C-N-CA 120.016 -1.088 . . . . 0.0 110.701 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.491 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -75.69 22.62 0.13 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.631 -1.511 . . . . 0.0 108.966 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.47 115.88 2.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.207 -0.933 . . . . 0.0 109.511 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.464 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 33.0 m-85 -118.2 11.99 13.36 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 121.318 -0.864 . . . . 0.0 110.673 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.415 HH11 ' HG3' ' A' ' 63' ' ' ARG . 2.6 ptm180 -137.52 24.73 2.91 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.452 ' NE2' ' CG ' ' C' ' 62' ' ' PHE . 30.1 mt-30 -143.64 152.62 41.59 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -179.15 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -102.61 56.31 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.21 157.89 43.22 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.471 -0.768 . . . . 0.0 110.115 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -129.99 135.04 47.84 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 68' ' ' THR . 7.2 t -89.64 113.57 25.05 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.464 -1.398 . . . . 0.0 109.567 -178.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.5 122.66 48.33 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 72.5 t -129.66 84.01 62.71 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.506 -0.746 . . . . 0.0 109.494 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -85.77 62.97 5.45 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 122.744 2.296 . . . . 0.0 111.331 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' PRO . 13.0 t90 -69.8 130.56 90.07 Favored Pre-proline 0 N--CA 1.488 1.473 0 O-C-N 121.412 -0.805 . . . . 0.0 109.037 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' TRP . 85.9 Cg_exo -39.58 147.93 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.166 0 C-N-CA 121.49 1.46 . . . . 0.0 110.911 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.513 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 64.9 t30 -132.03 -35.6 1.21 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.391 -0.818 . . . . 0.0 109.439 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.69 126.85 42.15 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 t -80.96 110.0 16.08 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.2 mt -77.53 138.53 39.24 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.599 0.714 . . . . 0.0 109.357 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 78' ' ' THR . 10.0 t -139.03 85.77 15.62 Favored Pre-proline 0 N--CA 1.493 1.712 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.425 ' CD ' ' H ' ' A' ' 80' ' ' LYS . 17.4 Cg_endo -102.23 -44.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 123.604 2.87 . . . . 0.0 114.293 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.425 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 55.5 tttm -79.29 -47.94 14.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.185 -0.947 . . . . 0.0 113.13 -176.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 0.515 ' CE2' ' OG1' ' A' ' 78' ' ' THR . 4.2 p90 -82.88 -43.59 16.38 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 120.391 -1.443 . . . . 0.0 112.532 -177.254 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.52 ' OD1' ' NH2' ' C' ' 41' ' ' ARG . 38.0 t30 -69.34 -39.98 77.84 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.483 -1.386 . . . . 0.0 110.564 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -60.0 -49.98 75.55 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.958 -1.089 . . . . 0.0 110.03 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -60.36 -42.45 95.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.924 -1.11 . . . . 0.0 109.784 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.7 p -69.65 -40.02 76.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.186 -0.946 . . . . 0.0 109.432 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -67.47 -39.99 85.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.078 -1.014 . . . . 0.0 109.748 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.04 -41.13 91.61 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.775 -1.203 . . . . 0.0 108.751 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.01 -43.54 95.18 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.876 -1.14 . . . . 0.0 108.158 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.565 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 66.3 t90 -60.14 -49.93 75.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.5 -0.75 . . . . 0.0 109.691 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.61 -40.47 88.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.38 -0.825 . . . . 0.0 109.407 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.466 ' HG2' HH11 ' A' ' 91' ' ' ARG . 33.0 mtt-85 -65.41 -39.93 92.76 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.285 -0.884 . . . . 0.0 109.9 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -60.13 -43.22 95.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.946 -1.097 . . . . 0.0 108.804 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.16 -40.83 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.339 -0.851 . . . . 0.0 109.498 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -60.08 -44.91 94.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.131 -0.98 . . . . 0.0 110.282 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -64.84 -40.1 94.62 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.878 -1.139 . . . . 0.0 109.663 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.1 mt -66.21 -40.67 90.49 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.271 -0.893 . . . . 0.0 109.34 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.44 -42.52 99.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.141 -0.974 . . . . 0.0 109.191 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.05 -47.75 84.59 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.402 -0.812 . . . . 0.0 109.534 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.462 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.9 t-20 -60.11 -44.7 94.67 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.312 -0.868 . . . . 0.0 109.0 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.04 -46.9 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.411 -0.805 . . . . 0.0 109.76 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.1 p -59.98 -41.79 92.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.989 -1.07 . . . . 0.0 109.201 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -50.06 75.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.273 -0.892 . . . . 0.0 109.518 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.06 -43.07 95.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.329 -0.857 . . . . 0.0 109.534 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.56 -41.75 99.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.224 -0.923 . . . . 0.0 109.413 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.95 -46.83 88.14 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.076 -1.015 . . . . 0.0 109.05 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -62.7 -40.44 97.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.178 -0.952 . . . . 0.0 108.96 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.6 -43.73 97.09 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.341 -0.849 . . . . 0.0 109.485 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -60.02 -48.66 80.78 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.049 -1.032 . . . . 0.0 108.842 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.7 mt -59.99 -49.97 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.412 -0.805 . . . . 0.0 109.709 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -68.89 -40.05 79.41 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.195 -0.941 . . . . 0.0 109.558 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.65 -49.93 75.53 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.268 -0.895 . . . . 0.0 109.436 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.67 -39.99 91.93 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.276 -0.89 . . . . 0.0 109.326 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -63.88 -39.99 95.48 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.318 -0.864 . . . . 0.0 109.965 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -65.44 -44.42 87.32 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.935 -1.103 . . . . 0.0 109.46 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.9 ttm -68.84 -39.97 79.65 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -60.04 -49.94 75.67 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.588 -0.695 . . . . 0.0 109.189 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.83 -39.99 91.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.239 -0.913 . . . . 0.0 109.255 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.0 -42.07 93.46 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.343 -0.848 . . . . 0.0 109.392 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.3 mt-30 -61.33 -40.71 95.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.106 -0.996 . . . . 0.0 109.678 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.03 -39.98 87.73 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.389 -0.819 . . . . 0.0 109.449 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 90.4 mt -58.57 -46.57 86.62 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -125.81 61.22 1.25 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.59 -0.694 . . . . 0.0 109.387 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 119' ' ' GLN . 2.3 p . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.036 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -68.85 143.5 54.52 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.326 -0.859 . . . . 0.0 109.051 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -89.99 61.19 5.17 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 108.99 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ARG . . . . . 0.419 HH11 ' HG3' ' B' ' 4' ' ' ARG . 34.7 mtm-85 -62.85 -40.02 96.17 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.51 -0.744 . . . . 0.0 109.216 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.511 HG23 ' N ' ' B' ' 6' ' ' LEU . 8.0 t -59.97 -42.31 93.86 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.17 -0.956 . . . . 0.0 109.329 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.511 ' N ' HG23 ' B' ' 5' ' ' THR . 58.8 tp -63.29 -40.14 96.54 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.184 -0.947 . . . . 0.0 109.401 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.1 mt -64.99 -39.09 92.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.357 -0.84 . . . . 0.0 109.913 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.01 87.7 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.054 -1.029 . . . . 0.0 108.676 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.99 -47.29 60.81 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 108.736 -1.746 . . . . 0.0 108.736 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.99 -48.76 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.427 -1.043 . . . . 0.0 109.077 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.02 -43.31 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.295 -0.878 . . . . 0.0 109.037 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.64 -39.99 93.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.365 -0.834 . . . . 0.0 109.232 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.94 -41.91 92.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.209 -0.932 . . . . 0.0 109.458 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.52 -42.03 95.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.112 -0.992 . . . . 0.0 109.029 179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.0 -47.09 87.25 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.334 -0.854 . . . . 0.0 109.215 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.16 -42.07 94.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.246 -0.909 . . . . 0.0 109.649 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.5 -43.03 99.8 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.24 -0.913 . . . . 0.0 108.776 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.1 -44.46 94.82 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.514 -0.741 . . . . 0.0 109.283 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -60.1 -46.24 90.26 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.173 -0.955 . . . . 0.0 109.915 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.59 -39.98 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.968 -1.082 . . . . 0.0 109.441 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.06 -41.8 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -60.66 -41.37 94.89 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.599 -0.688 . . . . 0.0 109.38 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ARG . . . . . 0.492 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 32.1 mmt180 -60.74 -40.61 93.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.335 -0.853 . . . . 0.0 109.831 -179.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.54 -39.94 89.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.155 -0.965 . . . . 0.0 109.119 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -60.06 -45.96 91.13 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.21 -0.931 . . . . 0.0 109.195 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -65.1 -40.03 93.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.097 -1.002 . . . . 0.0 109.401 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 tp -64.21 -40.13 95.42 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.309 -0.87 . . . . 0.0 109.253 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.12 -40.04 88.35 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.477 -0.765 . . . . 0.0 109.455 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.0 -40.51 93.82 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.259 -0.901 . . . . 0.0 109.691 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.591 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.9 mt -63.09 -40.55 97.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.189 -0.945 . . . . 0.0 109.646 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 82.7 p -62.69 -39.99 95.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.15 -0.969 . . . . 0.0 109.403 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.1 t -62.31 -40.05 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.247 -0.908 . . . . 0.0 109.257 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -60.01 -42.5 94.44 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.27 -0.894 . . . . 0.0 110.095 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -48.87 83.94 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.714 -1.355 . . . . 0.0 109.714 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.0 -49.99 75.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.057 -1.261 . . . . 0.0 109.982 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -61.09 -39.95 91.86 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.163 -0.961 . . . . 0.0 109.974 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -60.03 -40.97 91.18 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.102 -0.999 . . . . 0.0 109.232 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.53 -40.08 90.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.142 -0.974 . . . . 0.0 109.855 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -59.95 -40.26 88.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.091 -1.006 . . . . 0.0 109.792 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 55.9 p -60.18 -40.29 89.47 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.003 -1.06 . . . . 0.0 108.407 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ARG . . . . . 0.539 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 36.4 mtt-85 -68.99 -39.91 79.1 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.513 -0.742 . . . . 0.0 109.026 178.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.96 -42.63 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.178 -0.951 . . . . 0.0 108.623 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 55.9 p -60.08 -39.98 87.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.046 -1.034 . . . . 0.0 109.044 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.9 95.08 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.02 -39.34 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.628 -0.67 . . . . 0.0 109.34 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.195 -0.94 . . . . 0.0 109.416 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -64.46 -40.4 95.64 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.819 -1.175 . . . . 0.0 109.633 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 55.1 m-85 -65.85 -39.7 91.01 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.976 -1.077 . . . . 0.0 109.637 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LEU . . . . . 0.737 HD23 HE22 ' B' ' 52' ' ' GLN . 82.1 mt -60.13 -39.84 87.68 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.153 -0.967 . . . . 0.0 108.615 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.11 -39.97 88.05 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.941 -1.1 . . . . 0.0 108.589 178.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -60.0 -39.22 85.01 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.266 -0.896 . . . . 0.0 108.994 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.739 ' NE2' ' NE2' ' C' ' 52' ' ' GLN . 9.8 mt-30 -59.94 -40.06 87.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.009 -1.057 . . . . 0.0 109.088 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.9 -40.06 75.56 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -60.02 -39.66 86.62 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 90.3 mt -68.54 114.89 7.34 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.305 -0.872 . . . . 0.0 108.734 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -134.91 -65.34 0.63 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.449 -0.782 . . . . 0.0 110.565 -179.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.77 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.24 116.41 4.28 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.285 -0.884 . . . . 0.0 109.827 -178.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' TRP . . . . . 0.78 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 82.2 m95 -99.89 125.11 45.81 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.316 -0.865 . . . . 0.0 110.215 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 65.23 27.51 72.48 Favored Glycine 0 N--CA 1.491 2.357 0 C-N-CA 120.006 -1.092 . . . . 0.0 110.602 178.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ALA . . . . . 0.473 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -75.87 22.86 0.14 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.652 -1.499 . . . . 0.0 108.932 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.87 115.7 2.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.299 -0.876 . . . . 0.0 109.583 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' PHE . . . . . 0.46 ' CG ' ' NE2' ' C' ' 64' ' ' GLN . 33.0 m-85 -117.95 12.37 13.71 Favored 'General case' 0 N--CA 1.509 2.481 0 O-C-N 121.326 -0.859 . . . . 0.0 110.761 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.425 HH11 ' HG3' ' B' ' 63' ' ' ARG . 2.5 ptm180 -137.62 24.72 2.88 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 177.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLN . . . . . 0.464 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 30.1 mt-30 -143.77 152.7 41.57 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.62 56.36 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.15 157.88 43.27 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.534 -0.729 . . . . 0.0 110.085 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -129.99 134.8 47.67 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' THR . . . . . 0.56 HG23 ' O ' ' B' ' 68' ' ' THR . 7.2 t -89.48 113.6 24.99 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.471 -1.393 . . . . 0.0 109.578 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.64 122.81 48.76 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 75.5 t -129.7 83.82 63.2 Favored Pre-proline 0 N--CA 1.495 1.817 0 O-C-N 121.562 -0.711 . . . . 0.0 109.597 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -85.78 62.95 5.44 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 122.754 2.303 . . . . 0.0 111.328 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' TRP . . . . . 0.41 ' O ' ' C ' ' B' ' 73' ' ' PRO . 13.5 t90 -69.89 130.74 89.75 Favored Pre-proline 0 N--CA 1.489 1.524 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' B' ' 72' ' ' TRP . 84.9 Cg_exo -39.61 147.99 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.17 0 C-N-CA 121.371 1.38 . . . . 0.0 110.974 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ASN . . . . . 0.517 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 65.0 t30 -132.12 -35.95 1.18 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.293 -0.88 . . . . 0.0 109.331 -179.196 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.57 126.88 42.07 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.2 t -81.01 109.67 15.82 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -77.16 138.62 39.59 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.555 0.693 . . . . 0.0 109.495 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' THR . . . . . 0.748 HG23 ' O ' ' B' ' 78' ' ' THR . 10.0 t -139.13 85.61 15.59 Favored Pre-proline 0 N--CA 1.494 1.731 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' PRO . . . . . 0.412 ' CD ' ' H ' ' B' ' 80' ' ' LYS . 17.5 Cg_endo -102.28 -44.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 123.676 2.917 . . . . 0.0 114.349 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' LYS . . . . . 0.412 ' H ' ' CD ' ' B' ' 79' ' ' PRO . 55.8 tttm -79.86 -47.82 14.5 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.231 -0.918 . . . . 0.0 112.982 -176.08 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' TRP . . . . . 0.45 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.2 p90 -82.93 -43.92 15.94 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.384 -1.448 . . . . 0.0 112.361 -177.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' ASN . . . . . 0.536 ' OD1' ' NH2' ' A' ' 41' ' ' ARG . 38.2 t30 -68.91 -40.06 79.31 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.391 -1.443 . . . . 0.0 110.752 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -59.99 -49.96 75.64 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.965 -1.084 . . . . 0.0 109.978 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -60.47 -42.04 95.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.851 -1.156 . . . . 0.0 109.831 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 77.6 p -69.87 -40.07 75.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.134 -0.979 . . . . 0.0 109.51 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -67.38 -40.04 85.69 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.139 -0.975 . . . . 0.0 109.779 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.04 -41.21 91.8 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.883 -1.136 . . . . 0.0 108.784 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -60.01 -43.6 95.14 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.818 -1.176 . . . . 0.0 108.167 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' TRP . . . . . 0.554 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 66.5 t90 -59.97 -50.05 75.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.531 -0.73 . . . . 0.0 109.69 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -66.54 -40.64 89.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.36 -0.837 . . . . 0.0 109.375 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' ARG . . . . . 0.462 ' HG2' HH11 ' B' ' 91' ' ' ARG . 32.9 mtt-85 -65.18 -40.03 93.7 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.309 -0.869 . . . . 0.0 109.92 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -60.16 -43.29 95.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.98 -1.075 . . . . 0.0 108.838 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.12 -40.8 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.356 -0.84 . . . . 0.0 109.509 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -59.98 -45.35 92.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.215 -0.928 . . . . 0.0 110.278 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -64.5 -40.37 95.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.939 -1.101 . . . . 0.0 109.579 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.8 -40.46 91.9 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.172 -0.955 . . . . 0.0 109.375 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.71 -42.7 99.78 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.049 -1.032 . . . . 0.0 109.2 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.98 -47.91 83.86 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.236 -0.915 . . . . 0.0 109.346 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' ASN . . . . . 0.471 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 28.3 t-20 -59.99 -44.65 94.38 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.35 -0.844 . . . . 0.0 108.984 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.15 -46.8 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.284 -0.885 . . . . 0.0 109.729 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 43.3 p -59.94 -41.97 93.0 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.944 -1.097 . . . . 0.0 109.296 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.95 75.66 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.261 -0.899 . . . . 0.0 109.437 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.02 -43.47 95.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.337 -0.852 . . . . 0.0 109.484 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.19 -41.71 98.6 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.21 -0.931 . . . . 0.0 109.443 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.99 -46.81 88.25 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.055 -1.028 . . . . 0.0 109.119 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -62.76 -40.52 97.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.281 -0.887 . . . . 0.0 108.891 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.78 97.0 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.313 -0.867 . . . . 0.0 109.462 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -59.98 -48.35 82.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.057 -1.027 . . . . 0.0 108.862 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.28 -50.08 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.387 -0.821 . . . . 0.0 109.613 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -68.8 -40.05 79.8 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.244 -0.91 . . . . 0.0 109.663 -179.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -60.59 -49.73 76.38 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.214 -0.929 . . . . 0.0 109.432 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.11 -39.94 90.35 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.342 -0.848 . . . . 0.0 109.238 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -63.89 -40.08 95.68 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.267 -0.895 . . . . 0.0 109.893 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -65.41 -44.26 88.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.944 -1.097 . . . . 0.0 109.557 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 52.1 ttm -69.07 -39.92 78.79 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.04 -50.0 75.46 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.72 -40.0 90.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.149 -0.969 . . . . 0.0 109.397 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.01 -41.73 92.8 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.439 -0.788 . . . . 0.0 109.482 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 119' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.3 mt-30 -61.72 -40.69 95.94 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.089 -1.007 . . . . 0.0 109.607 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -59.98 -39.94 87.4 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.41 -0.806 . . . . 0.0 109.46 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 90.5 mt -58.74 -46.42 87.47 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -125.6 61.04 1.24 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.515 -0.741 . . . . 0.0 109.47 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 123' ' ' SER . . . . . 0.464 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.3 p . . . . . 0 N--CA 1.497 1.875 0 O-C-N 121.04 -1.038 . . . . 0.0 109.137 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -69.02 143.45 54.33 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.332 -0.855 . . . . 0.0 109.031 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -90.02 61.17 5.15 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.215 -0.928 . . . . 0.0 108.934 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' ARG . . . . . 0.432 HH11 ' HG3' ' C' ' 4' ' ' ARG . 34.3 mtm-85 -62.83 -39.92 95.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.488 -0.757 . . . . 0.0 109.235 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 5' ' ' THR . . . . . 0.525 HG23 ' N ' ' C' ' 6' ' ' LEU . 8.2 t -60.02 -43.08 95.49 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.168 -0.958 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 6' ' ' LEU . . . . . 0.525 ' N ' HG23 ' C' ' 5' ' ' THR . 58.9 tp -62.42 -40.22 95.86 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.047 -1.033 . . . . 0.0 109.42 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.2 mt -64.8 -39.21 93.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.287 -0.883 . . . . 0.0 109.992 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.98 -1.075 . . . . 0.0 108.73 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.78 -47.41 61.25 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 108.672 -1.771 . . . . 0.0 108.672 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.04 -48.81 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.372 -1.075 . . . . 0.0 108.933 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 78.6 t -59.96 -43.27 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.309 -0.869 . . . . 0.0 108.945 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -61.59 -40.11 93.58 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.303 -0.873 . . . . 0.0 109.25 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.94 -41.95 92.95 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.204 -0.935 . . . . 0.0 109.524 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -60.26 -42.06 94.58 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.958 -1.089 . . . . 0.0 109.084 179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.98 -47.11 87.18 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.337 -0.852 . . . . 0.0 109.247 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -59.95 -42.39 93.96 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.878 . . . . 0.0 109.72 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.29 -43.06 99.69 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.236 -0.915 . . . . 0.0 108.865 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.06 -44.66 94.56 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.473 -0.767 . . . . 0.0 109.182 179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -59.94 -46.78 88.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.205 -0.934 . . . . 0.0 109.896 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.14 -40.02 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.019 -1.05 . . . . 0.0 109.49 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.01 -41.81 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.193 -0.942 . . . . 0.0 108.474 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.67 -41.13 94.46 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.605 -0.684 . . . . 0.0 109.436 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' ARG . . . . . 0.462 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 32.0 mmt180 -60.72 -41.06 94.52 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.244 -0.91 . . . . 0.0 109.695 -179.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.15 -39.86 87.86 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.127 -0.983 . . . . 0.0 109.228 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -60.07 -46.12 90.61 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.255 -0.903 . . . . 0.0 109.21 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.98 -39.96 94.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.007 -1.058 . . . . 0.0 109.446 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.4 tp -64.28 -40.08 95.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.313 -0.867 . . . . 0.0 109.184 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 20.7 mt -60.26 -40.04 88.93 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.419 -0.801 . . . . 0.0 109.464 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.05 -40.32 93.17 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.247 -0.908 . . . . 0.0 109.599 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 30' ' ' LEU . . . . . 0.565 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.8 mt -63.23 -40.37 97.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.18 -0.95 . . . . 0.0 109.723 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.9 p -62.89 -39.96 96.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.091 -1.005 . . . . 0.0 109.363 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -62.51 -39.97 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.261 -0.899 . . . . 0.0 109.218 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -60.02 -42.33 94.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.221 -0.924 . . . . 0.0 110.05 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.17 -48.68 84.94 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -50.04 75.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.163 -1.198 . . . . 0.0 110.025 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -61.26 -40.03 92.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.097 -1.002 . . . . 0.0 110.02 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -60.05 -40.82 90.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.133 -0.979 . . . . 0.0 109.156 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.69 -39.96 90.42 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.258 -0.901 . . . . 0.0 109.881 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -60.05 -40.48 89.56 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.025 -1.047 . . . . 0.0 109.784 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 58.6 p -59.96 -40.2 88.22 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.972 -1.08 . . . . 0.0 108.419 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 41' ' ' ARG . . . . . 0.52 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 36.8 mtt-85 -69.01 -39.97 78.96 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.51 -0.744 . . . . 0.0 109.006 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.05 -42.59 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.256 -0.903 . . . . 0.0 108.681 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 56.2 p -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.007 -1.058 . . . . 0.0 109.073 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.86 95.2 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.9 mt -60.04 -39.36 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.01 -39.95 87.57 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.144 -0.973 . . . . 0.0 109.396 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -64.42 -40.12 95.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.891 -1.131 . . . . 0.0 109.713 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 55.0 m-85 -66.25 -39.72 89.7 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.974 -1.079 . . . . 0.0 109.518 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 49' ' ' LEU . . . . . 0.727 HD23 HE22 ' C' ' 52' ' ' GLN . 82.2 mt -60.03 -39.98 87.75 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.153 -0.967 . . . . 0.0 108.639 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -59.98 -40.01 87.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.862 -1.149 . . . . 0.0 108.665 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 51' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' C' ' 51' ' ' ASP . 37.5 t0 -59.99 -39.06 84.43 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.291 -0.881 . . . . 0.0 109.012 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 52' ' ' GLN . . . . . 0.739 ' NE2' ' NE2' ' B' ' 52' ' ' GLN . 9.9 mt-30 -60.02 -39.99 87.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.965 -1.084 . . . . 0.0 109.101 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.01 -39.93 75.67 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -60.1 -39.7 87.07 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 90.0 mt -68.42 114.76 7.13 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.315 -0.866 . . . . 0.0 108.775 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -134.8 -65.55 0.63 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.418 -0.801 . . . . 0.0 110.685 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.78 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -153.93 116.31 4.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.283 -0.886 . . . . 0.0 109.763 -178.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 58' ' ' TRP . . . . . 0.762 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 82.8 m95 -99.99 125.16 45.99 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.381 -0.824 . . . . 0.0 110.068 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 59' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 65.21 27.53 72.49 Favored Glycine 0 N--CA 1.489 2.207 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.668 178.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 60' ' ' ALA . . . . . 0.48 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -75.93 22.72 0.14 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.683 -1.48 . . . . 0.0 108.925 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 61' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.66 115.77 2.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.087 -1.008 . . . . 0.0 109.61 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 62' ' ' PHE . . . . . 0.452 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 32.6 m-85 -118.07 12.21 13.56 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 121.33 -0.857 . . . . 0.0 110.731 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 63' ' ' ARG . . . . . 0.422 ' HG3' HH11 ' C' ' 63' ' ' ARG . 2.5 ptm180 -137.61 24.67 2.89 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 177.605 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 64' ' ' GLN . . . . . 0.46 ' NE2' ' CG ' ' B' ' 62' ' ' PHE . 30.0 mt-30 -143.71 152.55 41.43 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -102.4 56.1 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.11 157.88 43.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.414 -0.804 . . . . 0.0 110.158 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -129.96 134.92 47.77 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 68' ' ' THR . . . . . 0.571 HG23 ' O ' ' C' ' 68' ' ' THR . 7.4 t -89.43 113.42 24.76 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.512 -1.367 . . . . 0.0 109.581 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.44 122.71 48.49 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 78.0 t -129.78 84.01 62.4 Favored Pre-proline 0 N--CA 1.494 1.76 0 O-C-N 121.544 -0.723 . . . . 0.0 109.577 -179.051 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -85.77 63.12 5.47 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.783 2.322 . . . . 0.0 111.399 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -69.94 130.75 89.66 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.531 -0.731 . . . . 0.0 109.042 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -39.55 147.78 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.181 0 C-N-CA 121.386 1.391 . . . . 0.0 111.054 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 74' ' ' ASN . . . . . 0.536 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 65.0 t30 -132.18 -35.65 1.19 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.448 -0.783 . . . . 0.0 109.39 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.8 126.91 42.29 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 1.1 t -80.94 109.99 16.05 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 45.6 mt -77.61 138.48 39.15 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.564 0.697 . . . . 0.0 109.402 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 78' ' ' THR . . . . . 0.72 HG23 ' O ' ' C' ' 78' ' ' THR . 10.0 t -139.0 85.63 15.81 Favored Pre-proline 0 N--CA 1.492 1.667 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 79' ' ' PRO . . . . . 0.415 ' CD ' ' H ' ' C' ' 80' ' ' LYS . 17.8 Cg_endo -102.19 -44.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 123.597 2.865 . . . . 0.0 114.328 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 80' ' ' LYS . . . . . 0.415 ' H ' ' CD ' ' C' ' 79' ' ' PRO . 55.5 tttm -79.46 -48.06 14.58 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.181 -0.949 . . . . 0.0 113.066 -176.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 81' ' ' TRP . . . . . 0.523 ' CE2' ' OG1' ' C' ' 78' ' ' THR . 4.2 p90 -82.66 -43.64 16.69 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.441 -1.412 . . . . 0.0 112.476 -177.299 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 82' ' ' ASN . . . . . 0.539 ' OD1' ' NH2' ' B' ' 41' ' ' ARG . 37.7 t30 -69.2 -40.06 78.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.336 -1.478 . . . . 0.0 110.786 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -60.0 -49.97 75.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.922 -1.111 . . . . 0.0 109.88 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -60.53 -42.15 95.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.884 -1.135 . . . . 0.0 109.806 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 77.4 p -69.85 -39.91 76.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.154 -0.966 . . . . 0.0 109.512 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -67.46 -40.05 85.33 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.184 -0.948 . . . . 0.0 109.774 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.03 -41.27 91.88 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.8 -1.187 . . . . 0.0 108.763 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -60.0 -43.62 95.08 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.865 -1.147 . . . . 0.0 108.104 178.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 89' ' ' TRP . . . . . 0.591 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 66.0 t90 -60.03 -50.08 75.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.46 -0.775 . . . . 0.0 109.578 179.124 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.35 -40.62 89.94 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.392 -0.817 . . . . 0.0 109.485 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 91' ' ' ARG . . . . . 0.453 HH11 ' HG2' ' C' ' 91' ' ' ARG . 32.8 mtt-85 -65.33 -39.93 93.06 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.2 -0.938 . . . . 0.0 109.93 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -60.28 -42.88 96.37 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.95 -1.094 . . . . 0.0 108.798 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.36 -41.02 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.401 -0.812 . . . . 0.0 109.421 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -59.9 -45.12 93.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.0 110.429 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -64.55 -40.09 94.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.909 -1.119 . . . . 0.0 109.657 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.42 -40.4 89.52 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.186 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.64 -42.81 99.81 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.109 -0.994 . . . . 0.0 109.104 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.93 -47.7 84.72 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.37 -0.831 . . . . 0.0 109.455 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 99' ' ' ASN . . . . . 0.492 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.8 t-20 -60.05 -44.47 94.67 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.318 -0.864 . . . . 0.0 109.051 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.26 -46.68 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.275 -0.891 . . . . 0.0 109.721 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 43.8 p -59.99 -42.01 93.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.024 -1.048 . . . . 0.0 109.18 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.99 75.48 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.282 -0.887 . . . . 0.0 109.522 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.05 -43.22 95.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.286 -0.884 . . . . 0.0 109.614 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.35 -41.8 98.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 0.0 109.301 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.08 -46.47 89.47 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.185 -0.947 . . . . 0.0 108.908 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -63.02 -40.08 96.67 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.282 -0.886 . . . . 0.0 109.041 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.45 98.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.404 -0.81 . . . . 0.0 109.43 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -60.09 -48.51 81.41 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.079 -1.013 . . . . 0.0 108.847 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.25 -49.98 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 121.35 -0.844 . . . . 0.0 109.726 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -68.8 -40.21 79.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.142 -0.974 . . . . 0.0 109.512 -179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -60.45 -49.98 75.42 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.322 -0.861 . . . . 0.0 109.474 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -65.84 -40.03 91.37 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.287 -0.883 . . . . 0.0 109.277 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -63.9 -40.16 95.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.349 -0.844 . . . . 0.0 109.977 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.45 -44.12 88.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.026 -1.046 . . . . 0.0 109.443 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 52.4 ttm -69.05 -40.0 78.82 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -60.02 -49.99 75.5 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.483 -0.761 . . . . 0.0 109.175 179.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.7 -40.11 91.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.189 -0.944 . . . . 0.0 109.257 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.04 -41.67 92.76 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.292 -0.88 . . . . 0.0 109.398 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 119' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.4 mt-30 -61.72 -40.78 96.26 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.065 -1.022 . . . . 0.0 109.612 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -59.97 -39.5 85.88 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.437 -0.789 . . . . 0.0 109.763 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 90.3 mt -58.96 -46.45 88.03 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -125.94 61.14 1.26 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.61 -0.682 . . . . 0.0 109.408 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 123' ' ' SER . . . . . 0.462 ' N ' ' O ' ' C' ' 119' ' ' GLN . 2.3 p . . . . . 0 N--CA 1.495 1.798 0 O-C-N 120.998 -1.064 . . . . 0.0 109.098 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.521 HE22 ' NE2' ' C' ' 2' ' ' GLN . 96.3 mm-40 -68.88 145.08 54.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.872 -1.142 . . . . 0.0 108.702 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -88.82 62.15 6.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.075 -1.015 . . . . 0.0 109.32 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -64.46 -40.17 95.2 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.351 -0.843 . . . . 0.0 109.028 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 6' ' ' LEU . 2.4 t -59.96 -44.94 94.11 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.237 -0.914 . . . . 0.0 109.592 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.448 ' N ' HG23 ' A' ' 5' ' ' THR . 59.2 tp -60.21 -42.16 94.55 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.7 mt -62.55 -40.04 95.57 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.551 -0.718 . . . . 0.0 109.358 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.61 91.96 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.77 -46.1 94.35 Favored Glycine 0 N--CA 1.487 2.089 0 N-CA-C 108.807 -1.717 . . . . 0.0 108.807 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.14 -48.41 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.361 -1.082 . . . . 0.0 109.663 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.24 -42.95 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.032 -1.043 . . . . 0.0 109.322 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -60.98 -39.89 91.36 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.427 -0.795 . . . . 0.0 109.686 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.96 -41.72 92.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 109.374 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -61.99 -40.01 94.15 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.017 -1.052 . . . . 0.0 109.397 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.3 -45.66 92.6 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.308 -0.87 . . . . 0.0 109.314 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.419 HE22 ' N ' ' B' ' 107' ' ' ALA . 29.0 mt-30 -61.99 -43.5 98.71 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.897 . . . . 0.0 109.611 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.57 -43.17 97.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.101 -1.0 . . . . 0.0 109.72 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.19 -43.23 96.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.121 -0.987 . . . . 0.0 109.289 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -59.98 -47.59 85.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.092 -1.005 . . . . 0.0 109.449 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.2 t -60.62 -40.09 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.306 -0.871 . . . . 0.0 109.965 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.53 -42.98 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.223 -0.923 . . . . 0.0 108.618 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.32 -40.17 96.58 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.446 -0.784 . . . . 0.0 109.01 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.531 HH11 HD23 ' B' ' 96' ' ' LEU . 30.5 mmt180 -60.8 -40.5 92.91 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.259 -0.901 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.67 -39.97 90.37 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.184 -0.948 . . . . 0.0 109.133 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -59.99 -50.05 75.26 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.38 -0.825 . . . . 0.0 109.622 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.38 -44.31 95.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.883 -1.135 . . . . 0.0 109.357 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.6 tp -60.24 -41.32 92.9 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.84 -40.37 92.6 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.445 -0.784 . . . . 0.0 109.006 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.461 HH12 ' CD ' ' A' ' 97' ' ' GLU . 50.8 mtt-85 -62.14 -41.79 98.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.233 -0.917 . . . . 0.0 109.138 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.537 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 94.2 mt -61.89 -41.48 97.94 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.134 -0.979 . . . . 0.0 109.591 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.5 p -62.72 -40.05 95.97 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.179 -0.951 . . . . 0.0 110.002 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.43 -41.52 87.76 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.165 -0.96 . . . . 0.0 109.241 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -60.04 -41.55 92.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.091 -1.005 . . . . 0.0 110.36 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.06 -50.14 70.97 Favored Glycine 0 N--CA 1.483 1.79 0 C-N-CA 119.25 -1.452 . . . . 0.0 110.262 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -60.27 -50.11 74.92 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.036 -1.273 . . . . 0.0 110.719 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.51 -40.0 89.8 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.126 -0.984 . . . . 0.0 109.97 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.502 HD21 HH21 ' A' ' 41' ' ' ARG . 44.4 t-20 -60.01 -40.54 89.61 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.954 -1.092 . . . . 0.0 109.745 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.26 -40.59 90.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.067 -1.02 . . . . 0.0 109.905 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -60.04 -41.12 91.59 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.867 -1.146 . . . . 0.0 110.081 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.2 p -60.14 -42.18 94.28 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.935 -1.103 . . . . 0.0 108.695 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.506 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 41.7 mtt-85 -65.07 -39.87 93.85 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.95 -42.31 89.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.262 -0.899 . . . . 0.0 109.041 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.4 p -59.77 -40.35 87.91 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.759 -1.213 . . . . 0.0 109.825 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.03 96.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.086 -1.009 . . . . 0.0 108.935 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.06 -39.45 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.412 -0.805 . . . . 0.0 109.326 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.88 -40.35 88.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.033 -1.042 . . . . 0.0 109.898 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -64.14 -40.29 95.85 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.096 -1.003 . . . . 0.0 109.994 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 61.8 m-85 -67.46 -38.79 84.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.776 -1.203 . . . . 0.0 110.1 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.84 -39.89 86.7 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.735 -1.228 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -60.46 -39.61 88.2 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.888 -1.133 . . . . 0.0 108.765 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -60.03 -40.0 87.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.435 -0.791 . . . . 0.0 109.019 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 48' ' ' TYR . 0.9 OUTLIER -59.78 -39.65 85.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.077 -1.015 . . . . 0.0 109.436 179.595 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.75 -35.23 74.18 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.958 -1.089 . . . . 0.0 108.678 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.94 -39.69 86.4 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.157 -0.965 . . . . 0.0 109.002 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.8 mt -71.35 113.34 8.28 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.855 -1.153 . . . . 0.0 108.903 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -134.53 -70.77 0.5 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.248 -0.907 . . . . 0.0 109.821 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.88 100.9 3.13 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.381 -0.824 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.45 ' C ' ' H ' ' A' ' 60' ' ' ALA . 71.8 m95 -115.95 150.44 37.14 Favored 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 121.447 0.641 . . . . 0.0 110.442 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 55.06 7.46 1.12 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.45 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -76.24 23.89 0.14 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.184 -1.186 . . . . 0.0 109.273 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.519 ' HB1' ' NE2' ' A' ' 64' ' ' GLN . . . -156.97 113.87 3.06 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.111 -0.993 . . . . 0.0 109.871 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -106.82 13.09 28.27 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.406 -0.809 . . . . 0.0 110.175 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.689 HH21 HH21 ' B' ' 63' ' ' ARG . 42.6 mtt-85 -121.96 23.21 10.1 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 177.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.542 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -149.7 151.65 34.04 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.227 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.0 t -107.36 60.04 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.077 -1.014 . . . . 0.0 109.057 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.37 157.99 42.06 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.475 -0.765 . . . . 0.0 109.854 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -126.26 132.78 51.62 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.417 ' O ' HG23 ' A' ' 68' ' ' THR . 4.7 t -97.82 119.56 36.63 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-O 121.94 0.876 . . . . 0.0 110.499 -178.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 69' ' ' THR . 15.0 t -115.36 121.19 42.06 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.6 t -124.98 86.34 56.72 Favored Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 121.478 -0.764 . . . . 0.0 109.58 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -83.92 66.35 7.14 Favored 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 122.669 2.246 . . . . 0.0 111.91 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' PRO . 22.7 t90 -69.57 132.64 89.17 Favored Pre-proline 0 N--CA 1.488 1.471 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.416 ' C ' ' O ' ' A' ' 72' ' ' TRP . 80.1 Cg_exo -40.01 148.69 0.15 Allowed 'Trans proline' 0 C--N 1.316 -1.156 0 C-N-CA 121.22 1.28 . . . . 0.0 111.147 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.554 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 8.4 t-20 -130.3 -53.65 1.1 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.21 124.07 33.48 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.0 m -80.46 110.06 15.55 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.008 -1.077 . . . . 0.0 108.173 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.8 mt -79.69 136.82 36.89 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.62 0.724 . . . . 0.0 109.75 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 78' ' ' THR . 5.7 t -89.64 114.5 60.82 Favored Pre-proline 0 C--N 1.298 -1.641 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -90.54 -47.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 1.023 0 C-N-CA 121.738 1.626 . . . . 0.0 113.664 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -122.1 -43.87 2.31 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -177.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.609 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.8 p90 -60.21 -47.44 85.93 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.306 -1.496 . . . . 0.0 112.749 -175.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.609 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.9 t30 -73.85 -46.99 41.54 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 119.893 -1.754 . . . . 0.0 110.697 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -60.18 -50.07 75.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.061 -1.024 . . . . 0.0 110.4 -177.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.6 -43.43 98.84 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.613 -1.305 . . . . 0.0 109.553 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 81' ' ' TRP . 69.3 p -69.71 -39.96 76.56 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.252 -0.905 . . . . 0.0 109.713 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -68.96 -40.02 79.12 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 120.879 -1.138 . . . . 0.0 109.475 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.13 -41.76 93.35 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.628 -1.295 . . . . 0.0 108.771 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.31 -41.18 96.57 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.038 -1.039 . . . . 0.0 108.566 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.534 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 71.6 t90 -60.12 -50.04 75.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.479 -0.763 . . . . 0.0 109.154 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.63 -42.47 98.93 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.225 -0.922 . . . . 0.0 109.819 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -61.96 -41.69 98.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.105 -0.997 . . . . 0.0 110.549 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -60.39 -41.07 93.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.847 -1.158 . . . . 0.0 109.268 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.45 -40.22 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 O-C-N 121.437 -0.789 . . . . 0.0 109.447 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.37 -40.65 97.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.278 -0.889 . . . . 0.0 110.871 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -69.86 -40.18 75.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.869 -1.144 . . . . 0.0 109.569 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.541 HD23 HH11 ' C' ' 23' ' ' ARG . 96.1 mt -68.24 -40.02 82.11 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.928 -1.108 . . . . 0.0 108.843 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.461 ' CD ' HH12 ' A' ' 29' ' ' ARG . 88.5 tt0 -60.65 -45.49 93.89 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.145 -0.972 . . . . 0.0 109.835 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.63 -40.03 95.85 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.132 -0.98 . . . . 0.0 109.562 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -64.46 -40.03 94.93 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.406 -0.809 . . . . 0.0 110.263 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.2 mt -66.02 -40.2 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.99 -1.069 . . . . 0.0 109.47 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.4 p -63.34 -42.05 98.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.048 -1.032 . . . . 0.0 109.647 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.5 84.69 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.089 -1.007 . . . . 0.0 109.348 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.45 -46.17 91.03 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.444 -0.785 . . . . 0.0 109.471 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.85 -41.3 97.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.045 -1.035 . . . . 0.0 109.818 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.1 -46.39 89.77 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.222 -0.923 . . . . 0.0 108.96 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.86 -42.37 99.73 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.351 -0.843 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.455 ' N ' HE22 ' C' ' 16' ' ' GLN . . . -60.56 -43.04 97.69 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.261 -0.899 . . . . 0.0 109.997 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.49 -43.09 97.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.25 -0.906 . . . . 0.0 109.988 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.23 -41.78 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.138 -0.976 . . . . 0.0 109.489 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -69.85 -40.17 75.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.033 -1.042 . . . . 0.0 109.558 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.03 -49.7 76.65 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.125 -0.984 . . . . 0.0 109.236 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.95 -42.45 99.12 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.247 -0.908 . . . . 0.0 109.35 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -62.26 -40.19 95.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.328 -0.858 . . . . 0.0 110.135 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -65.59 -41.62 92.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.878 -1.139 . . . . 0.0 109.256 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 60.5 ttm -70.03 -40.05 75.41 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.281 -0.887 . . . . 0.0 109.022 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.94 -45.99 90.85 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.208 -0.933 . . . . 0.0 108.758 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.79 -40.04 93.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.0 109.103 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.01 -40.35 88.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.319 -0.863 . . . . 0.0 109.106 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.8 mt-30 -61.65 -40.26 94.27 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.384 -0.823 . . . . 0.0 109.785 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -59.95 -39.98 87.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.296 -0.877 . . . . 0.0 109.377 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.2 mt -59.22 -47.31 85.83 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -130.03 62.41 1.56 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.456 -0.777 . . . . 0.0 109.708 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.053 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.485 HE22 ' NE2' ' A' ' 2' ' ' GLN . 96.1 mm-40 -68.99 144.89 54.0 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.035 -1.041 . . . . 0.0 108.615 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -88.6 61.89 6.27 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.12 -0.987 . . . . 0.0 109.462 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -64.26 -40.02 95.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.203 -0.936 . . . . 0.0 109.058 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.443 HG23 ' N ' ' B' ' 6' ' ' LEU . 2.4 t -60.11 -45.4 93.12 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.28 -0.888 . . . . 0.0 109.341 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.443 ' N ' HG23 ' B' ' 5' ' ' THR . 58.8 tp -59.96 -41.89 92.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.102 -0.998 . . . . 0.0 108.405 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.08 -39.84 95.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.55 -0.719 . . . . 0.0 109.242 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.33 93.13 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.104 -0.998 . . . . 0.0 108.447 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.56 -46.25 94.16 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.818 -1.713 . . . . 0.0 108.818 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.1 -48.61 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.27 -1.135 . . . . 0.0 109.631 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 69.8 t -60.12 -42.91 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.147 -0.97 . . . . 0.0 109.241 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -61.12 -39.85 91.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.366 -0.834 . . . . 0.0 109.792 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.98 -42.18 93.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.36 -0.838 . . . . 0.0 109.21 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -61.46 -40.04 93.06 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.15 -0.969 . . . . 0.0 109.509 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.4 -45.94 91.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.856 . . . . 0.0 109.354 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -61.37 -44.16 97.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.229 -0.919 . . . . 0.0 109.499 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.31 -43.28 96.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.143 -0.973 . . . . 0.0 109.694 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.5 tp -59.96 -43.41 95.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.114 -0.991 . . . . 0.0 109.234 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -60.15 -47.27 86.63 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.143 -0.973 . . . . 0.0 109.397 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 88.7 t -60.66 -40.6 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.22 -0.925 . . . . 0.0 109.786 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.13 -43.25 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.271 -0.893 . . . . 0.0 108.598 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -62.93 -40.32 97.27 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.475 HH11 HD23 ' C' ' 96' ' ' LEU . 30.4 mmt180 -60.73 -40.55 92.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.47 -0.769 . . . . 0.0 109.111 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.89 -39.96 91.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.191 -0.943 . . . . 0.0 109.243 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -59.95 -49.99 75.53 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.17 -0.956 . . . . 0.0 109.586 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -60.26 -44.74 95.03 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.091 -1.006 . . . . 0.0 108.985 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 43.4 tp -60.0 -41.41 92.02 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.195 -0.941 . . . . 0.0 108.584 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.5 mt -60.45 -40.41 91.06 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.333 -0.854 . . . . 0.0 109.163 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.465 HH12 ' CD ' ' B' ' 97' ' ' GLU . 49.8 mtt-85 -62.21 -41.52 98.45 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.24 -0.912 . . . . 0.0 109.152 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.492 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.6 mt -62.26 -41.18 98.22 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.896 -1.128 . . . . 0.0 109.614 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 64.3 p -62.83 -40.13 96.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.263 -0.898 . . . . 0.0 110.104 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.11 -41.45 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.381 -0.824 . . . . 0.0 109.612 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -60.13 -41.91 93.69 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.312 -0.868 . . . . 0.0 110.372 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -50.3 69.23 Favored Glycine 0 N--CA 1.487 2.084 0 C-N-CA 119.486 -1.34 . . . . 0.0 110.079 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.06 -50.06 75.2 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.095 -1.238 . . . . 0.0 110.729 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -60.71 -40.25 91.57 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.215 -0.928 . . . . 0.0 109.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.495 HD21 HH21 ' B' ' 41' ' ' ARG . 44.6 t-20 -59.94 -40.45 88.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.138 -0.976 . . . . 0.0 109.521 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.55 -40.21 90.76 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.982 . . . . 0.0 110.163 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -60.23 -40.76 91.35 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.853 -1.154 . . . . 0.0 110.045 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.404 ' O ' ' OG1' ' B' ' 43' ' ' THR . 59.5 p -60.17 -42.12 94.29 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.249 -0.98 . . . . 0.0 108.704 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.495 HH21 HD21 ' B' ' 37' ' ' ASN . 42.0 mtt-85 -65.57 -40.03 92.34 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.297 -0.877 . . . . 0.0 108.873 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.1 -41.42 86.42 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.25 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' B' ' 40' ' ' THR . 39.5 p -60.54 -40.02 90.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.955 -1.091 . . . . 0.0 109.592 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.03 97.51 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.027 -1.046 . . . . 0.0 108.896 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.15 -39.76 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.459 -0.776 . . . . 0.0 109.28 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.65 -40.02 86.29 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.208 -0.933 . . . . 0.0 109.8 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -64.4 -40.07 95.09 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.034 -1.041 . . . . 0.0 110.233 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 61.1 m-85 -67.62 -38.53 84.04 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.089 -1.007 . . . . 0.0 109.856 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.1 -39.91 87.82 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.746 -1.221 . . . . 0.0 109.365 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.2 -39.97 88.43 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.968 -1.083 . . . . 0.0 108.737 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -59.9 -39.77 86.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.25 -0.906 . . . . 0.0 109.118 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' B' ' 48' ' ' TYR . 0.9 OUTLIER -60.03 -39.85 87.32 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.069 -1.019 . . . . 0.0 109.288 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.14 -35.28 73.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.001 -1.062 . . . . 0.0 108.823 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -59.85 -39.59 85.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.144 -0.972 . . . . 0.0 108.915 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.6 mt -71.65 113.52 8.77 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.918 -1.114 . . . . 0.0 108.861 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 35.2 m120 -134.56 -70.6 0.5 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.401 -0.812 . . . . 0.0 109.841 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.91 100.72 3.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.338 -0.851 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' TRP . . . . . 0.445 ' C ' ' H ' ' B' ' 60' ' ' ALA . 72.9 m95 -115.53 150.45 36.56 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.581 -0.7 . . . . 0.0 110.277 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 55.42 6.74 1.09 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.457 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -75.88 24.23 0.13 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.111 -1.229 . . . . 0.0 109.359 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.519 ' HB1' ' NE2' ' B' ' 64' ' ' GLN . . . -157.08 113.83 3.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.848 . . . . 0.0 110.018 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -106.97 13.25 27.81 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.338 -0.851 . . . . 0.0 110.334 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.771 HH21 HH21 ' C' ' 63' ' ' ARG . 41.7 mtt-85 -121.92 23.3 10.08 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 177.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . 0.542 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.8 151.65 33.9 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.158 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.6 t -107.52 59.73 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.12 -0.988 . . . . 0.0 109.015 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.45 158.1 43.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.479 -0.763 . . . . 0.0 109.805 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -126.44 132.68 51.42 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.416 HG23 ' O ' ' B' ' 68' ' ' THR . 4.8 t -97.84 119.42 36.41 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 121.787 0.803 . . . . 0.0 110.406 -178.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.577 ' O ' HG23 ' B' ' 69' ' ' THR . 14.9 t -115.39 120.57 40.01 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.412 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 92.1 t -124.38 86.66 54.7 Favored Pre-proline 0 N--CA 1.498 1.962 0 O-C-N 121.337 -0.852 . . . . 0.0 109.588 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -84.12 66.46 6.98 Favored 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.077 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' B' ' 73' ' ' PRO . 22.0 t90 -69.54 132.92 89.09 Favored Pre-proline 0 N--CA 1.489 1.494 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.401 ' C ' ' O ' ' B' ' 72' ' ' TRP . 82.1 Cg_exo -40.3 148.66 0.17 Allowed 'Trans proline' 0 C--N 1.317 -1.116 0 C-N-CA 121.179 1.253 . . . . 0.0 111.082 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.544 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 8.5 t-20 -130.29 -53.78 1.1 Allowed 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.08 124.14 33.47 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 9.5 m -80.49 109.99 15.52 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.801 -1.187 . . . . 0.0 108.066 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.7 mt -79.2 136.92 37.23 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.617 0.722 . . . . 0.0 109.658 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.54 ' O ' HG23 ' B' ' 78' ' ' THR . 5.8 t -89.69 115.3 63.51 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -91.34 -47.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.033 0 C-N-CA 121.736 1.624 . . . . 0.0 113.699 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.88 -44.33 2.31 Favored 'General case' 0 N--CA 1.507 2.416 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.607 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -60.11 -47.02 87.63 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.261 -1.524 . . . . 0.0 112.88 -175.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.607 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 65.0 t30 -74.25 -47.05 37.61 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 119.999 -1.688 . . . . 0.0 110.631 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -59.9 -50.14 74.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.078 -1.014 . . . . 0.0 110.58 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -62.87 -43.27 99.23 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.779 -1.2 . . . . 0.0 109.378 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.516 HG23 ' O ' ' B' ' 81' ' ' TRP . 68.4 p -69.72 -40.11 76.43 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.211 -0.931 . . . . 0.0 109.764 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -68.68 -40.02 80.3 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.882 -1.136 . . . . 0.0 109.504 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.14 -41.25 92.32 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 118.625 -1.23 . . . . 0.0 108.845 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.64 -41.52 97.62 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.062 -1.024 . . . . 0.0 108.583 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.537 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 70.4 t90 -60.13 -49.86 75.99 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.52 -0.738 . . . . 0.0 109.089 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -61.52 -42.99 99.63 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.345 -0.847 . . . . 0.0 109.941 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -61.16 -42.26 98.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.173 -0.954 . . . . 0.0 110.472 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -60.34 -41.05 92.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.959 -1.088 . . . . 0.0 109.279 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.0 t -63.39 -40.26 88.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.537 -0.727 . . . . 0.0 109.457 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -62.33 -40.85 97.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.141 -0.974 . . . . 0.0 110.649 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -69.62 -39.82 76.95 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.724 -1.235 . . . . 0.0 109.73 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . 0.531 HD23 HH11 ' A' ' 23' ' ' ARG . 96.2 mt -68.2 -40.48 82.16 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.078 -1.014 . . . . 0.0 108.736 179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . 0.465 ' CD ' HH12 ' B' ' 29' ' ' ARG . 88.7 tt0 -60.69 -46.02 91.98 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.25 -0.906 . . . . 0.0 109.573 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.31 -40.02 96.19 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.936 -1.103 . . . . 0.0 109.397 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -64.49 -40.21 95.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.307 -0.87 . . . . 0.0 110.408 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.9 mt -66.05 -40.27 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.122 -0.986 . . . . 0.0 109.483 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 42.0 p -62.86 -42.87 99.92 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.935 -1.103 . . . . 0.0 109.688 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.3 84.16 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.078 -1.014 . . . . 0.0 109.335 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.51 -45.74 92.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.332 -0.855 . . . . 0.0 109.49 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.97 -41.34 97.9 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.016 -1.052 . . . . 0.0 109.753 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.13 -46.16 90.58 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.199 -0.938 . . . . 0.0 108.924 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.87 -42.33 99.72 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.291 -0.881 . . . . 0.0 109.38 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . 0.419 ' N ' HE22 ' A' ' 16' ' ' GLN . . . -60.76 -43.07 98.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.897 . . . . 0.0 109.859 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.29 -43.13 96.54 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.154 -0.966 . . . . 0.0 109.983 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.69 -41.53 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.396 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -69.97 -40.32 75.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.125 -0.985 . . . . 0.0 109.436 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -59.83 -50.02 75.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.255 -0.903 . . . . 0.0 109.603 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.63 -42.89 99.53 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.341 -0.849 . . . . 0.0 109.163 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -62.05 -40.49 95.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.305 -0.872 . . . . 0.0 110.189 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -65.24 -41.8 93.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.741 -1.225 . . . . 0.0 109.387 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 60.4 ttm -69.76 -40.1 76.31 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.366 -0.834 . . . . 0.0 108.817 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.97 -45.87 91.28 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.236 -0.915 . . . . 0.0 108.745 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.66 -40.13 93.84 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.353 -0.842 . . . . 0.0 109.222 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.97 -40.7 89.95 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.454 -0.779 . . . . 0.0 109.039 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' B' ' 123' ' ' SER . 98.1 mt-30 -61.38 -40.3 93.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 110.068 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -60.12 -39.72 87.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.292 -0.88 . . . . 0.0 109.318 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.5 -47.09 86.87 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -130.08 62.12 1.57 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.514 -0.741 . . . . 0.0 109.716 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.515 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.135 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . 0.521 ' NE2' HE22 ' A' ' 2' ' ' GLN . 96.3 mm-40 -68.9 145.06 53.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.133 -0.98 . . . . 0.0 108.411 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -88.99 61.92 6.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.146 -0.971 . . . . 0.0 109.223 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.408 ' HG3' HH11 ' C' ' 4' ' ' ARG . 42.0 mtm-85 -64.24 -40.14 95.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.229 -0.919 . . . . 0.0 108.96 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.444 HG23 ' N ' ' C' ' 6' ' ' LEU . 2.3 t -60.07 -45.03 94.25 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.271 -0.893 . . . . 0.0 109.543 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.444 ' N ' HG23 ' C' ' 5' ' ' THR . 59.9 tp -60.19 -41.83 93.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.116 -0.99 . . . . 0.0 108.423 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 20.8 mt -63.01 -40.08 96.71 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.5 92.53 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.544 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.29 -46.5 93.78 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.01 -48.75 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.203 -1.175 . . . . 0.0 109.696 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.07 -42.65 90.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.008 -1.057 . . . . 0.0 109.233 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -61.51 -39.64 91.73 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.225 -0.922 . . . . 0.0 109.506 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.85 -42.4 93.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.061 -1.025 . . . . 0.0 109.328 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -61.42 -40.08 93.12 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.125 -0.984 . . . . 0.0 109.262 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.22 -46.15 90.75 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.0 109.351 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.455 HE22 ' N ' ' A' ' 107' ' ' ALA . 28.7 mt-30 -61.6 -43.39 98.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.151 -0.968 . . . . 0.0 109.589 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.66 -43.64 97.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.436 -0.79 . . . . 0.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.03 -43.23 95.44 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.093 -1.004 . . . . 0.0 109.362 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -60.0 -47.46 85.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.976 -1.077 . . . . 0.0 109.481 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 94.6 t -60.49 -40.18 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.244 -0.91 . . . . 0.0 109.98 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.24 -43.14 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.121 -0.987 . . . . 0.0 108.611 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -63.08 -40.24 97.06 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.43 -0.794 . . . . 0.0 109.144 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.541 HH11 HD23 ' A' ' 96' ' ' LEU . 30.4 mmt180 -60.67 -40.8 93.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.389 -0.82 . . . . 0.0 109.191 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.92 -40.0 91.53 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.153 -0.967 . . . . 0.0 109.391 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -60.02 -49.51 77.39 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.171 -0.956 . . . . 0.0 109.585 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.68 -44.27 96.7 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.901 -1.124 . . . . 0.0 109.174 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.19 -41.38 92.83 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 mt -61.02 -40.23 92.79 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.271 -0.893 . . . . 0.0 108.975 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . 0.465 HH12 ' CD ' ' C' ' 97' ' ' GLU . 50.8 mtt-85 -62.17 -41.68 98.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.175 -0.953 . . . . 0.0 109.331 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.534 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 93.6 mt -62.1 -41.54 98.31 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.067 -1.02 . . . . 0.0 109.641 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 62.9 p -62.64 -40.24 96.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.071 -1.018 . . . . 0.0 109.854 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.14 -41.72 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.248 -0.907 . . . . 0.0 109.546 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -59.81 -41.77 92.01 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.125 -0.984 . . . . 0.0 110.373 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.82 -50.54 66.54 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.41 -1.376 . . . . 0.0 110.281 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.2 -50.01 75.38 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.04 -1.27 . . . . 0.0 110.759 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.74 -40.09 91.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.991 -1.068 . . . . 0.0 109.989 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.499 HD21 HH21 ' C' ' 41' ' ' ARG . 44.0 t-20 -60.06 -40.29 88.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.05 -1.031 . . . . 0.0 109.428 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.51 -40.18 90.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.884 -1.135 . . . . 0.0 110.017 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.45 -40.57 91.64 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.97 -1.081 . . . . 0.0 110.145 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 69.6 p -60.34 -42.03 94.83 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.011 -1.056 . . . . 0.0 108.617 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.523 ' NH2' ' CG ' ' A' ' 82' ' ' ASN . 41.5 mtt-85 -65.64 -40.02 92.08 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.01 -41.67 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.159 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 40.0 p -60.03 -40.38 89.15 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.807 -1.183 . . . . 0.0 109.794 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.58 -42.81 97.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.994 -1.066 . . . . 0.0 108.951 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.99 -39.86 81.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.365 -0.835 . . . . 0.0 109.273 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.45 -40.17 85.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.146 -0.971 . . . . 0.0 110.067 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -64.01 -40.26 95.95 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.982 -1.074 . . . . 0.0 109.998 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 62.1 m-85 -67.75 -38.57 83.67 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.893 -1.13 . . . . 0.0 109.889 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 83.1 mt -59.87 -40.1 87.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.663 -1.273 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -60.09 -39.83 87.45 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.934 -1.104 . . . . 0.0 108.685 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -60.04 -39.87 87.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.24 -0.913 . . . . 0.0 109.078 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' C' ' 48' ' ' TYR . 0.9 OUTLIER -59.84 -39.86 86.56 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.868 -1.145 . . . . 0.0 109.275 179.619 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -59.28 -35.5 73.84 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.859 -1.151 . . . . 0.0 108.739 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.99 -39.65 86.47 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.228 -0.92 . . . . 0.0 108.837 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 70.0 mt -71.4 113.32 8.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.876 -1.14 . . . . 0.0 108.984 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 35.1 m120 -134.53 -70.3 0.51 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.408 -0.807 . . . . 0.0 109.803 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.17 101.64 3.16 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.41 -0.806 . . . . 0.0 109.187 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 58' ' ' TRP . . . . . 0.449 ' C ' ' H ' ' C' ' 60' ' ' ALA . 72.1 m95 -116.74 150.72 37.77 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.571 -0.706 . . . . 0.0 110.255 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 54.95 7.19 0.96 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . 0.457 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -76.23 24.01 0.14 Allowed 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.122 -1.222 . . . . 0.0 109.246 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 61' ' ' ALA . . . . . 0.523 ' HB1' ' NE2' ' C' ' 64' ' ' GLN . . . -157.03 113.7 3.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.08 -1.013 . . . . 0.0 109.837 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -106.79 13.24 28.14 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.391 -0.818 . . . . 0.0 110.2 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . 0.771 HH21 HH21 ' B' ' 63' ' ' ARG . 44.2 mtt-85 -121.87 23.39 10.09 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 177.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . 0.53 HE21 ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -150.15 151.43 33.1 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 179.256 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 6.7 t -107.18 59.91 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.112 -0.992 . . . . 0.0 109.053 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.88 158.16 42.84 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.411 -0.805 . . . . 0.0 109.918 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -126.68 132.57 51.15 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.419 ' O ' HG23 ' C' ' 68' ' ' THR . 4.9 t -97.63 119.83 36.92 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.292 -0.88 . . . . 0.0 110.539 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . 0.569 ' O ' HG23 ' C' ' 69' ' ' THR . 15.3 t -115.74 120.98 41.1 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.41 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 94.6 t -124.62 86.53 55.48 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 121.347 -0.846 . . . . 0.0 109.615 -179.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -84.11 66.08 7.0 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.732 2.288 . . . . 0.0 112.017 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.412 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 22.2 t90 -69.38 132.65 89.53 Favored Pre-proline 0 C--N 1.301 -1.533 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' C' ' 72' ' ' TRP . 79.8 Cg_exo -40.2 148.39 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.205 0 C-N-CA 121.335 1.357 . . . . 0.0 111.0 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.531 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 8.8 t-20 -129.97 -53.07 1.13 Allowed 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.45 124.0 33.54 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.8 m -80.4 110.28 15.7 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.794 -1.191 . . . . 0.0 108.078 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 mt -79.96 136.86 36.72 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.748 0.785 . . . . 0.0 109.716 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.549 HG23 ' O ' ' C' ' 78' ' ' THR . 5.9 t -89.67 114.73 61.73 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.664 -0.648 . . . . 0.0 109.366 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -90.73 -47.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.031 0 C-N-CA 121.697 1.598 . . . . 0.0 113.809 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -122.08 -44.28 2.29 Favored 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -177.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.599 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.5 p90 -59.84 -47.32 86.21 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.375 -1.453 . . . . 0.0 112.882 -175.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.599 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.0 t30 -74.59 -46.55 37.94 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 119.864 -1.773 . . . . 0.0 110.569 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -60.09 -50.02 75.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.02 -1.05 . . . . 0.0 110.677 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -63.04 -42.95 99.86 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.702 -1.249 . . . . 0.0 109.412 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.514 HG23 ' O ' ' C' ' 81' ' ' TRP . 71.1 p -70.1 -39.99 75.21 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.198 -0.939 . . . . 0.0 109.82 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 35.5 t-105 -68.82 -40.1 79.69 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.354 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.09 -41.81 93.27 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.644 -1.285 . . . . 0.0 108.751 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.01 -41.78 97.19 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.956 -1.09 . . . . 0.0 108.474 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.492 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 71.1 t90 -60.04 -49.86 76.0 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.36 -42.74 99.19 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.342 -0.849 . . . . 0.0 109.921 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.65 -41.97 98.26 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.186 -0.946 . . . . 0.0 110.454 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -60.12 -42.02 93.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.94 -1.1 . . . . 0.0 109.171 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.67 -40.43 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.398 -0.814 . . . . 0.0 109.395 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.17 -40.42 95.96 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.2 -0.937 . . . . 0.0 110.895 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -69.99 -39.93 75.62 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.975 -1.078 . . . . 0.0 109.723 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . 0.475 HD23 HH11 ' B' ' 23' ' ' ARG . 96.1 mt -68.51 -40.0 81.01 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.114 -0.991 . . . . 0.0 108.815 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . 0.465 ' CD ' HH12 ' C' ' 29' ' ' ARG . 88.6 tt0 -60.82 -46.01 92.21 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 121.138 -0.976 . . . . 0.0 109.617 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.35 -40.24 96.75 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.003 -1.061 . . . . 0.0 109.459 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -64.14 -40.43 96.14 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.377 -0.827 . . . . 0.0 110.333 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.83 -40.44 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.079 -1.013 . . . . 0.0 109.523 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 44.1 p -63.1 -42.02 99.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.015 -1.053 . . . . 0.0 109.703 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.82 -46.59 84.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.09 -1.006 . . . . 0.0 109.187 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.41 -46.54 89.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.41 -0.806 . . . . 0.0 109.453 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.46 -41.5 97.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.042 -1.036 . . . . 0.0 109.806 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.0 -46.15 90.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.268 -0.895 . . . . 0.0 108.978 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.85 -42.27 99.68 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.6 98.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.332 -0.855 . . . . 0.0 110.008 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.79 -42.95 98.56 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.924 -1.11 . . . . 0.0 109.99 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.43 -41.85 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.132 -0.98 . . . . 0.0 109.448 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -69.85 -40.12 75.98 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -59.99 -49.9 75.86 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.194 -0.942 . . . . 0.0 109.352 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.8 -42.31 98.85 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.324 -0.86 . . . . 0.0 109.325 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -62.58 -40.26 96.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.281 -0.887 . . . . 0.0 110.126 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -65.53 -41.83 92.63 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.009 -1.057 . . . . 0.0 109.326 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 60.5 ttm -69.82 -39.97 76.18 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.355 -0.841 . . . . 0.0 108.791 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.86 -46.49 89.14 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.37 -0.831 . . . . 0.0 108.792 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.24 -40.05 92.59 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.456 -0.778 . . . . 0.0 109.19 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.04 -40.66 90.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.398 -0.813 . . . . 0.0 109.071 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.8 mt-30 -61.36 -40.42 94.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.887 . . . . 0.0 109.786 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -60.06 -39.3 85.53 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.09 -1.006 . . . . 0.0 109.307 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.62 -46.92 87.55 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -130.41 62.34 1.58 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.388 -0.82 . . . . 0.0 109.494 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.494 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 118.113 -0.946 . . . . 0.0 108.906 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.586 HE22 HE22 ' B' ' 2' ' ' GLN . 97.3 mm-40 -69.96 145.17 52.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.259 -0.9 . . . . 0.0 109.116 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -88.23 61.64 6.33 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.14 -0.975 . . . . 0.0 109.147 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.489 ' HG2' HH11 ' A' ' 4' ' ' ARG . 30.2 mtt-85 -65.1 -39.91 93.82 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.553 HG23 ' N ' ' A' ' 6' ' ' LEU . 9.9 t -60.04 -44.38 94.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.331 -0.856 . . . . 0.0 109.545 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.553 ' N ' HG23 ' A' ' 5' ' ' THR . 59.6 tp -60.09 -45.3 93.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.94 -1.1 . . . . 0.0 108.66 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.7 mt -59.98 -39.99 87.56 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.52 -0.738 . . . . 0.0 109.567 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.95 87.13 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.131 -0.98 . . . . 0.0 108.569 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.02 64.22 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.99 -46.72 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.412 -1.051 . . . . 0.0 109.542 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.96 -46.61 93.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.007 -1.058 . . . . 0.0 109.266 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.76 -39.93 90.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.326 -0.858 . . . . 0.0 109.991 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.06 -40.77 90.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.021 -1.05 . . . . 0.0 108.933 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -62.25 -41.34 98.35 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.049 -1.032 . . . . 0.0 109.261 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -61.42 -42.63 99.05 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.012 -1.055 . . . . 0.0 108.674 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.04 -40.83 98.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.312 -0.868 . . . . 0.0 109.495 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.43 -39.98 92.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.154 -0.967 . . . . 0.0 109.212 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.63 -42.98 99.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.349 -0.845 . . . . 0.0 109.294 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -60.02 -48.99 79.41 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.25 -0.907 . . . . 0.0 109.778 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.98 -40.25 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.161 -0.962 . . . . 0.0 109.707 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.06 -43.2 92.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.24 -0.913 . . . . 0.0 108.89 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -63.17 -40.45 97.58 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.475 ' HE ' HD11 ' B' ' 103' ' ' LEU . 53.9 mtt-85 -60.35 -40.05 89.34 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.3 -0.875 . . . . 0.0 109.536 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.09 -40.05 88.25 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.082 -1.011 . . . . 0.0 109.189 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -59.93 -46.11 90.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.068 -1.02 . . . . 0.0 109.428 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.28 -41.82 98.82 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.153 -0.967 . . . . 0.0 109.957 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.595 HD23 HD13 ' B' ' 28' ' ' LEU . 23.3 tp -61.12 -40.47 93.9 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.222 -0.924 . . . . 0.0 109.7 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.601 HD13 HD23 ' C' ' 27' ' ' LEU . 86.4 mt -60.18 -40.02 88.55 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.906 . . . . 0.0 109.403 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.5 HH12 ' CD ' ' A' ' 97' ' ' GLU . 35.0 mtt-85 -60.0 -40.09 88.01 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.203 -0.936 . . . . 0.0 109.048 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.497 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 15.3 mt -64.9 -40.03 94.45 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.004 -1.06 . . . . 0.0 109.813 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.8 p -65.11 -40.0 93.9 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.933 -1.105 . . . . 0.0 109.739 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.61 -40.0 85.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.246 -0.909 . . . . 0.0 109.005 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -60.05 -43.42 95.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.399 -0.813 . . . . 0.0 110.268 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.3 -49.28 80.31 Favored Glycine 0 N--CA 1.49 2.26 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.353 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -60.0 -50.03 75.36 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.111 -1.229 . . . . 0.0 110.133 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -60.01 -40.08 88.0 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.16 -0.962 . . . . 0.0 110.019 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.638 HD21 HH21 ' A' ' 41' ' ' ARG . 39.9 t30 -60.04 -40.61 89.96 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.086 -1.009 . . . . 0.0 109.701 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.21 -39.95 88.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.16 -0.963 . . . . 0.0 109.736 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -60.0 -41.95 93.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.028 -1.045 . . . . 0.0 109.882 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.408 ' O ' ' OG1' ' A' ' 43' ' ' THR . 40.4 p -60.48 -41.31 93.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.717 -1.239 . . . . 0.0 108.642 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.638 HH21 HD21 ' A' ' 37' ' ' ASN . 35.0 mtt-85 -64.32 -39.81 94.64 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.0 -42.59 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.391 -0.818 . . . . 0.0 109.293 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 40' ' ' THR . 71.6 p -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.056 -1.027 . . . . 0.0 109.968 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.86 92.81 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.105 -0.997 . . . . 0.0 108.966 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.64 -38.65 79.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.478 -0.764 . . . . 0.0 109.408 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.166 -0.959 . . . . 0.0 108.826 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -59.99 -44.13 94.72 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.519 -0.738 . . . . 0.0 109.623 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 68.0 m-85 -68.31 -38.36 81.52 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.174 -0.954 . . . . 0.0 109.752 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.9 -40.09 87.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.041 -1.037 . . . . 0.0 108.869 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -59.95 -40.02 87.57 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.684 -1.26 . . . . 0.0 108.223 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -60.0 -39.02 84.32 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.256 -0.903 . . . . 0.0 108.736 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.622 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.77 -40.06 86.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 109.044 179.751 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.622 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -58.25 -35.58 71.94 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.002 -1.061 . . . . 0.0 108.938 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.96 -39.87 87.08 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.197 -0.939 . . . . 0.0 109.172 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.6 mt -73.74 113.09 10.48 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.004 -1.06 . . . . 0.0 109.124 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 26.5 m120 -133.41 -70.1 0.54 Allowed 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.367 -0.833 . . . . 0.0 109.05 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.89 88.02 1.51 Allowed 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.482 ' C ' ' H ' ' A' ' 60' ' ' ALA . 60.6 m95 -103.2 151.07 23.06 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.307 -0.87 . . . . 0.0 110.944 -178.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 51.49 9.42 0.43 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.539 ' HB1' ' HA ' ' C' ' 60' ' ' ALA . . . -74.87 23.73 0.1 Allowed 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.296 -1.12 . . . . 0.0 108.877 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -155.57 109.85 2.88 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.158 -0.964 . . . . 0.0 110.217 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -105.05 12.84 31.73 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.266 -0.896 . . . . 0.0 109.739 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.497 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -117.64 21.89 12.7 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 177.695 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.497 ' NE2' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -151.02 152.57 33.68 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 179.358 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -107.1 60.13 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.043 -1.035 . . . . 0.0 109.222 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.1 157.88 43.32 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.216 -0.927 . . . . 0.0 109.436 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -124.88 133.0 53.24 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 68' ' ' THR . 5.2 t -97.54 120.08 37.25 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.33 -0.856 . . . . 0.0 110.759 -178.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.52 121.88 44.85 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.419 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 59.8 t -129.41 87.77 52.34 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.269 -0.894 . . . . 0.0 109.232 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -84.67 67.3 6.43 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.788 2.325 . . . . 0.0 112.266 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.417 ' O ' ' C ' ' A' ' 73' ' ' PRO . 32.6 t90 -69.03 130.16 91.64 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.459 -0.776 . . . . 0.0 109.096 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' TRP . 91.5 Cg_exo -39.2 148.33 0.12 Allowed 'Trans proline' 0 N--CA 1.487 1.138 0 C-N-CA 121.337 1.358 . . . . 0.0 111.473 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.581 HD22 ' NE2' ' A' ' 52' ' ' GLN . 19.5 t-20 -127.34 -52.63 1.39 Allowed 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.03 125.12 34.38 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.2 t -81.81 106.65 13.91 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.9 mt -80.71 135.8 36.07 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.682 0.753 . . . . 0.0 110.273 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 78' ' ' THR . 3.7 t -92.58 113.94 60.95 Favored Pre-proline 0 N--CA 1.492 1.674 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -89.67 -47.67 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.195 0 C-N-CA 121.762 1.642 . . . . 0.0 114.337 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -121.58 -44.45 2.34 Favored 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.2 p90 -59.91 -48.84 80.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.343 -1.473 . . . . 0.0 112.25 -175.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.623 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.3 t30 -70.91 -43.76 67.61 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.194 -1.566 . . . . 0.0 110.558 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -60.01 -49.99 75.51 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.037 -1.039 . . . . 0.0 110.705 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.91 -45.57 94.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.879 -1.138 . . . . 0.0 109.519 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 81' ' ' TRP . 76.5 p -68.21 -40.0 82.26 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.301 -0.874 . . . . 0.0 109.892 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.45 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 34.4 t-105 -68.38 -40.07 81.54 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.966 -1.084 . . . . 0.0 109.715 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -59.98 -41.73 92.65 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.935 -1.103 . . . . 0.0 108.957 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -62.77 -42.25 99.6 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.038 -1.039 . . . . 0.0 108.397 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.482 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 60.7 t90 -59.93 -49.97 75.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.464 -0.772 . . . . 0.0 109.822 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -66.46 -40.59 89.46 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.334 -0.854 . . . . 0.0 109.572 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.64 -40.0 88.5 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.266 -0.896 . . . . 0.0 109.911 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -60.13 -43.85 95.38 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.971 -1.081 . . . . 0.0 108.963 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.11 -40.71 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.153 -0.967 . . . . 0.0 109.274 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -60.08 -40.14 88.52 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.356 -0.84 . . . . 0.0 110.723 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -69.36 -39.94 77.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.883 -1.135 . . . . 0.0 109.418 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.91 -40.22 91.29 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.155 -0.966 . . . . 0.0 108.506 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.5 ' CD ' HH12 ' A' ' 29' ' ' ARG . 87.6 tt0 -60.04 -47.34 86.25 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.435 -0.791 . . . . 0.0 109.186 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.99 -40.0 96.45 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.269 -0.894 . . . . 0.0 109.707 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -65.98 -39.96 90.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.007 -1.058 . . . . 0.0 109.538 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.66 -40.41 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.185 -0.947 . . . . 0.0 109.18 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -61.99 -40.01 94.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.172 -0.955 . . . . 0.0 109.652 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.49 77.43 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.224 -0.923 . . . . 0.0 109.829 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.464 HD11 ' HE ' ' C' ' 23' ' ' ARG . 88.2 mt -62.54 -41.15 98.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.911 -1.118 . . . . 0.0 109.252 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.54 -46.91 88.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.093 -1.004 . . . . 0.0 108.672 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.07 -47.76 84.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.241 -0.912 . . . . 0.0 109.108 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.33 -40.91 92.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.288 -0.883 . . . . 0.0 109.494 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.46 99.56 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.343 -0.848 . . . . 0.0 109.711 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.94 -46.09 92.07 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.155 -0.965 . . . . 0.0 109.546 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.97 -48.22 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.259 -0.901 . . . . 0.0 109.19 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -68.02 -40.0 83.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.379 -0.826 . . . . 0.0 109.827 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -59.97 -49.93 75.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.123 -0.986 . . . . 0.0 109.675 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.21 -44.01 97.55 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.183 -0.948 . . . . 0.0 109.139 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.43 -43.25 99.28 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.351 -0.843 . . . . 0.0 109.809 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -63.59 -43.44 96.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.1 -1.0 . . . . 0.0 109.517 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.53 -40.03 80.9 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.129 -0.982 . . . . 0.0 108.657 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -60.01 -48.58 81.13 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.492 -0.755 . . . . 0.0 109.312 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.85 -39.9 95.81 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.127 -0.983 . . . . 0.0 109.496 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.0 -40.19 92.58 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.254 -0.904 . . . . 0.0 109.582 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.0 mt-30 -60.55 -41.84 95.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.071 -1.018 . . . . 0.0 110.055 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -60.46 -39.47 87.68 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.078 -1.014 . . . . 0.0 109.491 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.441 HD13 ' NH1' ' A' ' 4' ' ' ARG . 94.9 mt -59.36 -47.66 84.59 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -124.1 60.12 1.14 Allowed 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 117.963 -1.017 . . . . 0.0 108.943 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.197 0.522 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.617 HE22 HE22 ' C' ' 2' ' ' GLN . 97.0 mm-40 -69.91 145.12 52.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.268 -0.895 . . . . 0.0 109.127 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -88.11 61.54 6.34 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.084 -1.01 . . . . 0.0 109.167 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.487 HH11 ' HG2' ' B' ' 4' ' ' ARG . 30.1 mtt-85 -65.11 -39.78 93.59 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.554 HG23 ' N ' ' B' ' 6' ' ' LEU . 9.7 t -59.99 -44.44 94.51 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.39 -0.819 . . . . 0.0 109.538 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.554 ' N ' HG23 ' B' ' 5' ' ' THR . 59.8 tp -60.02 -45.45 92.75 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.009 -1.057 . . . . 0.0 108.611 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.7 mt -59.93 -39.81 86.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.546 -0.721 . . . . 0.0 109.63 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.03 87.73 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.118 -0.989 . . . . 0.0 108.597 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.37 -46.34 64.17 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.9 -46.67 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -1.096 . . . . 0.0 109.611 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 63.5 t -60.0 -46.74 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.072 -1.017 . . . . 0.0 109.292 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.45 -40.06 89.78 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.271 -0.893 . . . . 0.0 109.87 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.05 -40.64 90.11 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.041 -1.037 . . . . 0.0 109.105 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -62.31 -41.35 98.46 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.899 -1.126 . . . . 0.0 109.274 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.61 -42.32 98.71 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.167 -0.958 . . . . 0.0 108.603 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -63.4 -40.6 97.65 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.391 -0.818 . . . . 0.0 109.454 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.58 -40.02 92.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.019 -1.051 . . . . 0.0 109.225 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.48 -43.24 99.22 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.266 -0.896 . . . . 0.0 109.155 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -60.07 -48.93 79.65 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.316 -0.865 . . . . 0.0 109.772 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.95 -40.14 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.078 -1.014 . . . . 0.0 109.767 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.97 -43.11 91.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 121.21 -0.931 . . . . 0.0 108.854 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -63.42 -40.28 96.75 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.489 ' HE ' HD11 ' C' ' 103' ' ' LEU . 54.0 mtt-85 -60.46 -39.97 89.51 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.392 -0.818 . . . . 0.0 109.558 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.1 -39.97 88.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.065 -1.022 . . . . 0.0 109.239 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -60.07 -45.71 91.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.048 -1.032 . . . . 0.0 109.386 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.03 -41.21 99.47 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.126 -0.984 . . . . 0.0 109.917 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.59 HD23 HD13 ' C' ' 28' ' ' LEU . 23.1 tp -61.45 -40.54 94.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.024 -1.047 . . . . 0.0 109.617 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.595 HD13 HD23 ' A' ' 27' ' ' LEU . 87.0 mt -59.96 -40.1 87.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.164 -0.96 . . . . 0.0 109.474 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.5 HH12 ' CD ' ' B' ' 97' ' ' GLU . 35.2 mtt-85 -59.95 -40.04 87.63 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.154 -0.967 . . . . 0.0 109.04 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.521 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 15.2 mt -65.05 -40.11 94.3 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.009 -1.057 . . . . 0.0 109.848 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 78.7 p -65.06 -39.91 93.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.913 -1.117 . . . . 0.0 109.654 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.74 -39.89 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.958 . . . . 0.0 109.012 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -60.04 -43.61 95.24 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.351 -0.843 . . . . 0.0 110.301 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -49.46 78.29 Favored Glycine 0 N--CA 1.49 2.252 0 C-N-CA 119.78 -1.2 . . . . 0.0 110.339 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.93 -50.04 75.34 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.036 -1.273 . . . . 0.0 110.102 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -59.99 -40.02 87.76 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.206 -0.934 . . . . 0.0 109.982 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.646 HD21 HH21 ' B' ' 41' ' ' ARG . 39.8 t30 -60.23 -40.47 90.34 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.192 -0.943 . . . . 0.0 109.687 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.21 -40.07 88.82 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.061 -1.024 . . . . 0.0 109.712 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -59.92 -41.9 92.77 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.042 -1.037 . . . . 0.0 110.039 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 43.1 p -60.48 -41.28 93.89 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.731 -1.231 . . . . 0.0 108.546 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.646 HH21 HD21 ' B' ' 37' ' ' ASN . 35.0 mtt-85 -64.16 -40.04 95.28 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.96 -42.71 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.54 -0.725 . . . . 0.0 109.186 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 70.8 p -60.0 -40.02 87.79 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.99 -1.069 . . . . 0.0 110.079 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.9 92.86 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.08 -1.013 . . . . 0.0 108.889 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.51 -38.81 79.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.52 -0.737 . . . . 0.0 109.467 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.145 -0.972 . . . . 0.0 108.758 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -60.06 -44.1 94.94 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.531 -0.73 . . . . 0.0 109.574 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 67.6 m-85 -68.21 -38.36 81.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.219 -0.925 . . . . 0.0 109.811 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 64.2 mt -59.89 -40.11 87.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.092 -1.005 . . . . 0.0 108.818 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.05 -39.97 87.8 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.651 -1.281 . . . . 0.0 108.176 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -59.95 -39.08 84.32 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.244 -0.91 . . . . 0.0 108.727 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.623 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -59.85 -39.99 87.03 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.233 -0.917 . . . . 0.0 109.068 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.623 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -58.24 -35.53 71.86 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.899 -1.125 . . . . 0.0 108.901 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.93 -39.89 87.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.193 -0.942 . . . . 0.0 109.174 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 84.0 mt -73.76 113.08 10.5 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.944 -1.097 . . . . 0.0 109.087 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 26.4 m120 -133.53 -70.12 0.53 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.374 -0.829 . . . . 0.0 109.014 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.62 88.06 1.54 Allowed 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' TRP . . . . . 0.47 ' C ' ' H ' ' B' ' 60' ' ' ALA . 60.5 m95 -103.25 151.3 22.82 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.465 -0.772 . . . . 0.0 111.055 -178.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 51.14 9.94 0.41 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.544 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -75.39 23.48 0.11 Allowed 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.246 -1.15 . . . . 0.0 108.85 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -155.13 109.63 2.95 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.196 -0.94 . . . . 0.0 110.219 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -104.81 12.69 32.36 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.283 -0.886 . . . . 0.0 109.776 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.499 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -117.51 21.95 12.71 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 177.727 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . 0.499 ' NE2' ' C ' ' B' ' 63' ' ' ARG . 0.0 OUTLIER -151.13 152.5 33.46 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 179.331 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -107.1 60.12 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 120.997 -1.064 . . . . 0.0 109.137 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.85 158.03 43.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.239 -0.913 . . . . 0.0 109.424 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -125.14 132.85 53.01 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.43 HG23 ' O ' ' B' ' 68' ' ' THR . 5.1 t -97.58 119.97 37.12 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.307 -0.871 . . . . 0.0 110.736 -177.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.39 121.91 45.03 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.42 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 61.3 t -129.36 87.91 52.12 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.257 -0.902 . . . . 0.0 109.192 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -84.8 67.27 6.33 Favored 'Trans proline' 0 N--CA 1.488 1.199 0 C-N-CA 122.841 2.36 . . . . 0.0 112.267 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.406 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 32.4 t90 -69.06 130.2 91.57 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.416 -0.802 . . . . 0.0 109.092 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.406 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 92.4 Cg_exo -39.21 148.3 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.32 1.347 . . . . 0.0 111.541 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.599 HD22 ' NE2' ' B' ' 52' ' ' GLN . 19.9 t-20 -127.27 -52.52 1.39 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.11 125.27 34.49 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 29.1 t -81.89 106.55 13.9 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 44.6 mt -80.69 135.91 36.09 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.694 0.759 . . . . 0.0 110.13 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.46 ' O ' HG23 ' B' ' 78' ' ' THR . 3.4 t -92.83 113.85 60.88 Favored Pre-proline 0 N--CA 1.494 1.736 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -89.64 -47.63 0.03 OUTLIER 'Trans proline' 0 N--CA 1.487 1.127 0 C-N-CA 121.788 1.659 . . . . 0.0 114.28 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -121.55 -44.56 2.34 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -176.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.618 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.3 p90 -59.99 -48.66 80.79 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.375 -1.453 . . . . 0.0 112.233 -175.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.618 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.2 t30 -71.13 -43.72 67.03 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.239 -1.538 . . . . 0.0 110.486 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -60.01 -50.08 75.13 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.041 -1.037 . . . . 0.0 110.637 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.58 -45.51 93.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.861 -1.149 . . . . 0.0 109.656 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.45 HG23 ' O ' ' B' ' 81' ' ' TRP . 75.0 p -68.49 -40.0 81.07 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.261 -0.899 . . . . 0.0 109.847 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . 0.453 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 34.2 t-105 -68.33 -40.06 81.75 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 118.994 -1.083 . . . . 0.0 109.734 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -59.96 -41.79 92.7 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.911 -1.118 . . . . 0.0 108.969 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.62 -42.05 99.36 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.077 -1.014 . . . . 0.0 108.582 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.497 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.7 t90 -60.09 -49.95 75.63 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.49 -0.756 . . . . 0.0 109.717 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -66.07 -41.21 91.04 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.161 -0.962 . . . . 0.0 109.543 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.1 -39.97 90.39 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.292 -0.88 . . . . 0.0 110.106 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -60.53 -43.65 96.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.115 -0.991 . . . . 0.0 108.862 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.2 -40.56 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.215 -0.928 . . . . 0.0 109.378 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -60.16 -40.0 88.36 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.382 -0.824 . . . . 0.0 110.805 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -69.48 -40.01 77.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.875 -1.14 . . . . 0.0 109.368 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.84 -40.27 91.58 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.078 -1.013 . . . . 0.0 108.541 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . 0.5 ' CD ' HH12 ' B' ' 29' ' ' ARG . 88.1 tt0 -59.98 -47.18 86.89 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.458 -0.776 . . . . 0.0 109.186 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.25 -40.01 96.22 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.279 -0.888 . . . . 0.0 109.696 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -65.75 -40.0 91.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.011 -1.056 . . . . 0.0 109.401 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.1 mt -65.69 -40.79 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.27 -0.894 . . . . 0.0 109.186 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 40.9 p -61.67 -40.02 93.46 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.035 -1.04 . . . . 0.0 109.753 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.96 -49.77 76.36 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.124 -0.985 . . . . 0.0 109.877 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.475 HD11 ' HE ' ' A' ' 23' ' ' ARG . 87.4 mt -62.04 -41.59 98.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.968 -1.083 . . . . 0.0 109.3 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.17 -47.01 87.75 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.055 -1.028 . . . . 0.0 108.695 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.04 -47.95 83.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.206 -0.934 . . . . 0.0 109.038 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.09 -41.22 92.02 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 0.0 109.517 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.24 99.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 0.0 109.839 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.25 -45.83 92.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.19 -0.944 . . . . 0.0 109.54 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.99 -48.52 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.901 . . . . 0.0 109.172 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.78 -39.94 84.01 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.397 -0.814 . . . . 0.0 109.816 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.11 -50.01 75.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.132 -0.98 . . . . 0.0 109.647 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.12 -43.88 97.86 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.142 -0.974 . . . . 0.0 109.104 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.63 -42.7 99.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.369 -0.832 . . . . 0.0 109.879 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -64.28 -42.85 96.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.033 -1.042 . . . . 0.0 109.544 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -68.83 -40.06 79.66 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.209 -0.932 . . . . 0.0 108.572 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -59.99 -48.57 81.16 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.447 -0.783 . . . . 0.0 109.387 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.82 -40.04 96.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.099 -1.001 . . . . 0.0 109.384 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.7 -40.57 92.71 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.344 -0.848 . . . . 0.0 109.704 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.3 mt-30 -60.38 -42.02 94.97 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.106 -0.996 . . . . 0.0 110.002 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -60.14 -39.42 86.23 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.172 -0.955 . . . . 0.0 109.667 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . 0.425 HD13 ' NH1' ' B' ' 4' ' ' ARG . 94.8 mt -59.54 -47.89 83.79 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -124.02 60.03 1.13 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.769 0 O-C-N 121.025 -1.047 . . . . 0.0 108.919 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.213 0.53 . . . . 0.0 109.695 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . 0.617 HE22 HE22 ' B' ' 2' ' ' GLN . 96.3 mm-40 -70.03 145.22 51.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.194 -0.941 . . . . 0.0 109.071 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -88.32 61.58 6.26 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.134 -0.979 . . . . 0.0 109.194 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.489 HH11 ' HG2' ' C' ' 4' ' ' ARG . 29.8 mtt-85 -65.12 -39.9 93.73 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.508 -0.745 . . . . 0.0 109.033 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.563 HG23 ' N ' ' C' ' 6' ' ' LEU . 9.8 t -60.04 -44.46 94.64 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.46 -0.775 . . . . 0.0 109.561 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.563 ' N ' HG23 ' C' ' 5' ' ' THR . 60.1 tp -59.91 -45.34 92.88 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.032 -1.043 . . . . 0.0 108.649 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.9 -40.04 87.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.514 -0.742 . . . . 0.0 109.678 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.04 87.14 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.152 -0.968 . . . . 0.0 108.594 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.49 -46.12 64.44 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.04 -46.73 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.387 -1.066 . . . . 0.0 109.606 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.99 -46.8 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.072 -1.017 . . . . 0.0 109.192 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.59 -39.97 90.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.157 -0.964 . . . . 0.0 109.99 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.99 -40.64 89.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.034 -1.041 . . . . 0.0 109.108 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -62.42 -40.8 97.73 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.066 -1.021 . . . . 0.0 109.325 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -61.78 -42.75 99.39 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.081 -1.012 . . . . 0.0 108.675 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.75 -41.36 99.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.286 -0.884 . . . . 0.0 109.568 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.95 -40.04 94.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.126 -0.984 . . . . 0.0 109.276 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.67 -42.97 99.64 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.376 -0.828 . . . . 0.0 109.246 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.94 -49.1 79.01 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.291 -0.88 . . . . 0.0 109.88 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.05 -40.02 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.043 -1.036 . . . . 0.0 109.667 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.01 -43.2 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.152 -0.967 . . . . 0.0 108.926 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -63.33 -40.48 97.41 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.464 ' HE ' HD11 ' A' ' 103' ' ' LEU . 54.5 mtt-85 -60.36 -40.08 89.49 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.387 -0.821 . . . . 0.0 109.592 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.0 -40.08 87.99 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.174 -0.954 . . . . 0.0 109.231 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -59.94 -45.88 91.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.009 -1.057 . . . . 0.0 109.455 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.71 -41.42 99.13 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.197 -0.939 . . . . 0.0 109.872 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.601 HD23 HD13 ' A' ' 28' ' ' LEU . 23.5 tp -61.27 -40.65 94.9 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.205 -0.935 . . . . 0.0 109.668 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.59 HD13 HD23 ' B' ' 27' ' ' LEU . 86.7 mt -60.07 -39.89 87.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.306 -0.871 . . . . 0.0 109.543 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . 0.508 HH12 ' CD ' ' C' ' 97' ' ' GLU . 34.4 mtt-85 -60.05 -40.01 87.95 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.223 -0.923 . . . . 0.0 108.986 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.482 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 15.3 mt -65.22 -39.99 93.5 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.045 -1.034 . . . . 0.0 109.767 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -64.94 -40.04 94.43 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.958 -1.089 . . . . 0.0 109.691 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.73 -40.01 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.232 -0.918 . . . . 0.0 109.084 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -59.96 -43.43 95.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.472 -0.767 . . . . 0.0 110.3 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.33 -49.47 78.21 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 119.84 -1.171 . . . . 0.0 110.301 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -59.96 -50.07 75.18 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.065 -1.256 . . . . 0.0 109.952 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -59.92 -39.98 87.31 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.198 -0.939 . . . . 0.0 110.07 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.663 HD21 HH21 ' C' ' 41' ' ' ARG . 39.8 t30 -60.1 -40.72 90.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.151 -0.968 . . . . 0.0 109.686 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.12 -40.06 88.42 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.154 -0.966 . . . . 0.0 109.702 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -60.01 -41.57 92.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.074 -1.016 . . . . 0.0 109.921 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . 0.419 ' O ' ' OG1' ' C' ' 43' ' ' THR . 43.1 p -60.73 -41.3 95.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.736 -1.228 . . . . 0.0 108.503 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.663 HH21 HD21 ' C' ' 37' ' ' ASN . 35.0 mtt-85 -64.2 -39.98 95.11 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.05 -42.51 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.473 -0.767 . . . . 0.0 109.227 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' C' ' 40' ' ' THR . 69.2 p -60.03 -40.04 87.96 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.102 -0.999 . . . . 0.0 110.093 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.77 92.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.112 -0.993 . . . . 0.0 108.916 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 91.3 mt -60.65 -38.66 79.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.486 -0.759 . . . . 0.0 109.428 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.88 -40.12 87.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.192 -0.942 . . . . 0.0 108.896 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -60.06 -43.85 95.13 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.451 -0.78 . . . . 0.0 109.645 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.555 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 68.4 m-85 -68.67 -38.17 80.19 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.166 -0.959 . . . . 0.0 109.791 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 61.4 mt -59.89 -40.05 87.41 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.006 -1.059 . . . . 0.0 108.846 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -59.94 -40.04 87.61 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.738 -1.226 . . . . 0.0 108.226 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.0 -39.13 84.69 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.138 -0.976 . . . . 0.0 108.665 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.627 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.83 -40.03 87.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.182 -0.949 . . . . 0.0 109.081 179.836 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . 0.627 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -58.17 -35.52 71.69 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.945 -1.097 . . . . 0.0 108.955 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -59.91 -40.02 87.38 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.161 -0.962 . . . . 0.0 109.109 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 83.8 mt -73.73 113.14 10.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.97 -1.081 . . . . 0.0 109.086 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 27.0 m120 -133.55 -69.98 0.54 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.323 -0.86 . . . . 0.0 109.132 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.26 88.25 1.5 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 58' ' ' TRP . . . . . 0.46 ' C ' ' H ' ' C' ' 60' ' ' ALA . 60.8 m95 -103.36 151.27 22.94 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.426 -0.796 . . . . 0.0 110.952 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 51.56 9.43 0.45 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 178.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . 0.544 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -75.11 24.17 0.1 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.331 -1.099 . . . . 0.0 108.956 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 61' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.06 109.64 2.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.256 -0.903 . . . . 0.0 110.248 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -104.86 12.64 32.33 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.285 -0.885 . . . . 0.0 109.757 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . 0.499 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -117.49 22.06 12.64 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 177.716 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . 0.499 ' NE2' ' C ' ' C' ' 63' ' ' ARG . 0.0 OUTLIER -151.25 152.53 33.37 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 179.464 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 t -107.18 60.25 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.112 -0.993 . . . . 0.0 109.176 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.97 157.8 43.35 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.356 -0.84 . . . . 0.0 109.375 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -124.97 132.9 53.2 Favored 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.428 ' O ' HG23 ' C' ' 68' ' ' THR . 5.1 t -97.59 120.23 37.59 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.339 -0.851 . . . . 0.0 110.756 -178.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.46 121.82 44.7 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.432 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 60.0 t -129.21 87.62 53.39 Favored Pre-proline 0 N--CA 1.499 2.01 0 O-C-N 121.371 -0.831 . . . . 0.0 109.127 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.63 67.38 6.45 Favored 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 122.739 2.293 . . . . 0.0 112.329 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.414 ' O ' ' C ' ' C' ' 73' ' ' PRO . 31.8 t90 -69.02 130.31 91.54 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.502 -0.749 . . . . 0.0 109.132 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' C' ' 72' ' ' TRP . 91.1 Cg_exo -39.35 148.28 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.173 0 C-N-CA 121.374 1.382 . . . . 0.0 111.399 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.583 HD22 ' NE2' ' C' ' 52' ' ' GLN . 19.9 t-20 -127.31 -52.44 1.39 Allowed 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.09 125.22 34.47 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 30.6 t -81.81 106.5 13.79 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 45.7 mt -80.66 135.87 36.1 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.6 0.714 . . . . 0.0 110.226 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.444 HG23 ' O ' ' C' ' 78' ' ' THR . 3.5 t -92.9 113.64 60.34 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -89.48 -47.67 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.169 0 C-N-CA 121.836 1.691 . . . . 0.0 114.251 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -121.65 -44.3 2.34 Favored 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.62 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.3 p90 -60.07 -48.9 79.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.302 -1.499 . . . . 0.0 112.156 -175.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.62 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.3 t30 -70.87 -43.82 67.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.194 -1.566 . . . . 0.0 110.578 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -60.07 -49.94 75.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.025 -1.047 . . . . 0.0 110.688 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.6 -45.6 93.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.786 -1.196 . . . . 0.0 109.58 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.457 HG23 ' O ' ' C' ' 81' ' ' TRP . 79.9 p -68.56 -39.91 80.86 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.284 -0.885 . . . . 0.0 109.801 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . 0.434 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 34.3 t-105 -68.36 -40.05 81.62 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.965 -1.084 . . . . 0.0 109.696 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -59.92 -41.9 92.74 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.891 -1.131 . . . . 0.0 109.012 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.53 -42.33 99.45 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.391 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.521 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.0 t90 -60.11 -49.97 75.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.501 -0.749 . . . . 0.0 109.825 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -65.93 -40.93 91.82 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.221 -0.924 . . . . 0.0 109.481 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.42 -40.13 89.35 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.238 -0.913 . . . . 0.0 110.03 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -60.14 -43.8 95.44 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.045 -1.034 . . . . 0.0 109.001 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.07 -40.55 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.22 -0.925 . . . . 0.0 109.395 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -60.0 -40.42 89.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.414 -0.804 . . . . 0.0 110.803 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -69.31 -39.88 78.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.933 -1.104 . . . . 0.0 109.417 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 83.5 mt -65.95 -40.26 91.19 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.135 -0.978 . . . . 0.0 108.468 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . 0.508 ' CD ' HH12 ' C' ' 29' ' ' ARG . 87.7 tt0 -59.95 -47.76 84.5 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.431 -0.793 . . . . 0.0 109.103 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.6 -40.0 95.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.313 -0.867 . . . . 0.0 109.782 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -65.85 -40.16 91.45 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.089 -1.007 . . . . 0.0 109.429 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.63 -40.36 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.156 -0.965 . . . . 0.0 109.184 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.9 p -62.09 -39.99 94.34 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.131 -0.981 . . . . 0.0 109.698 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.76 76.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.118 -0.989 . . . . 0.0 109.883 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . 0.489 HD11 ' HE ' ' B' ' 23' ' ' ARG . 87.3 mt -62.11 -41.56 98.34 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.949 -1.094 . . . . 0.0 109.184 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.11 -47.0 87.71 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.152 -0.967 . . . . 0.0 108.799 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.08 -47.59 85.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.304 -0.872 . . . . 0.0 109.167 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.53 -40.92 93.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.377 -0.827 . . . . 0.0 109.433 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.0 99.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.272 -0.892 . . . . 0.0 109.758 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.28 -45.78 93.07 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.133 -0.98 . . . . 0.0 109.629 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.91 -48.49 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.227 -0.921 . . . . 0.0 109.149 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.96 -40.01 83.28 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.41 -0.806 . . . . 0.0 109.725 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -59.99 -50.02 75.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.054 -1.029 . . . . 0.0 109.683 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.94 -44.46 96.72 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.242 -0.911 . . . . 0.0 109.098 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.09 -43.2 99.35 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.268 -0.895 . . . . 0.0 109.779 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -63.71 -43.32 96.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.015 -1.053 . . . . 0.0 109.581 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.45 -40.03 81.24 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.221 -0.924 . . . . 0.0 108.573 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -59.98 -48.68 80.7 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.432 -0.792 . . . . 0.0 109.363 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.95 -39.97 96.25 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.164 -0.96 . . . . 0.0 109.349 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.78 -40.49 92.79 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.236 -0.915 . . . . 0.0 109.558 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.2 mt-30 -60.07 -42.65 95.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.072 -1.018 . . . . 0.0 109.966 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -59.93 -38.79 83.4 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.15 -0.969 . . . . 0.0 109.821 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . 0.433 HD13 ' NH1' ' C' ' 4' ' ' ARG . 95.1 mt -59.89 -47.64 84.95 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -124.11 59.75 1.15 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.517 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 117.99 -1.005 . . . . 0.0 108.968 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -77.73 146.06 36.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.229 -0.919 . . . . 0.0 109.389 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 p -88.67 61.97 6.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.256 -0.902 . . . . 0.0 109.074 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -63.93 -39.98 95.4 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.372 -0.83 . . . . 0.0 109.336 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.432 ' H ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -60.83 -41.73 96.35 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.199 -0.938 . . . . 0.0 108.997 179.66 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.6 tp -61.8 -42.42 98.98 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.106 -0.996 . . . . 0.0 108.765 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.4 mt -60.06 -39.93 87.72 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.518 -0.739 . . . . 0.0 110.073 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.0 87.91 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.032 -1.042 . . . . 0.0 108.701 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.71 -46.43 54.01 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.5 mt -59.91 -46.18 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.408 -1.054 . . . . 0.0 109.79 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.3 t -60.03 -44.48 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.061 -1.024 . . . . 0.0 108.774 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.91 -40.05 94.11 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.258 -0.901 . . . . 0.0 109.744 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -59.96 -42.16 93.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.107 -0.996 . . . . 0.0 109.305 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -60.13 -42.21 94.31 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.043 -1.036 . . . . 0.0 108.731 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.58 -43.57 98.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.311 -0.868 . . . . 0.0 109.031 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -60.13 -44.58 94.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 109.147 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.42 -42.11 98.22 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.35 -0.844 . . . . 0.0 109.484 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.445 HD11 HD23 ' A' ' 104' ' ' LEU . 63.6 tp -60.27 -42.38 95.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.359 -0.838 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.97 -47.85 84.12 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.225 -0.922 . . . . 0.0 110.111 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.3 -40.77 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.04 -1.037 . . . . 0.0 109.56 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.04 -41.66 87.09 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.41 -0.806 . . . . 0.0 109.005 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -62.26 -41.15 98.2 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.505 -0.747 . . . . 0.0 109.209 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HE ' HD11 ' B' ' 103' ' ' LEU . 52.8 mtt-85 -61.66 -40.08 93.65 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.427 -0.796 . . . . 0.0 109.856 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.94 -40.07 87.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.99 -1.069 . . . . 0.0 109.538 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -59.98 -49.95 75.67 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.178 -0.951 . . . . 0.0 108.996 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.91 -42.24 97.68 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.128 -0.982 . . . . 0.0 109.37 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.63 -40.99 93.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.344 -0.847 . . . . 0.0 109.013 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.54 -40.05 90.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.348 -0.845 . . . . 0.0 109.474 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -59.99 -40.46 89.28 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.181 -0.95 . . . . 0.0 109.388 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.484 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 95.9 mt -61.57 -41.9 98.07 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.073 -1.017 . . . . 0.0 109.514 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -63.37 -40.6 97.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.121 -0.987 . . . . 0.0 109.828 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.29 -40.1 84.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.357 -0.84 . . . . 0.0 109.249 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -59.97 -43.72 94.93 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.289 -0.882 . . . . 0.0 110.451 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.07 -50.0 72.45 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.884 -1.287 . . . . 0.0 109.884 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.7 m -59.97 -49.94 75.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.101 -1.235 . . . . 0.0 109.93 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -61.68 -39.96 93.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.135 -0.978 . . . . 0.0 109.708 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.666 ' ND2' HH21 ' A' ' 41' ' ' ARG . 51.0 t-20 -60.12 -40.31 89.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.318 -0.864 . . . . 0.0 109.634 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.9 mt -60.66 -40.04 90.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.167 -0.958 . . . . 0.0 109.492 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -59.94 -40.62 89.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.1 -1.0 . . . . 0.0 109.641 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.8 p -60.07 -40.29 89.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.887 -1.133 . . . . 0.0 108.482 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.719 HH22 HD21 ' B' ' 82' ' ' ASN . 71.9 mtt180 -66.53 -39.97 88.88 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.1 -40.09 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.449 -0.782 . . . . 0.0 109.162 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.2 p -60.02 -39.98 87.73 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.842 -1.161 . . . . 0.0 108.635 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.5 94.92 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.208 -0.932 . . . . 0.0 108.9 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.1 mt -59.97 -39.71 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.447 -0.783 . . . . 0.0 109.127 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.01 -40.13 88.19 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.2 -0.937 . . . . 0.0 110.04 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -62.4 -42.15 99.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.901 -1.124 . . . . 0.0 109.033 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 54.8 m-85 -65.5 -39.57 92.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.361 -0.837 . . . . 0.0 109.777 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.8 mt -59.96 -39.58 86.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.1 -1.0 . . . . 0.0 108.816 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.03 -40.0 87.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 41.2 t0 -59.96 -40.13 88.0 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.356 -0.84 . . . . 0.0 109.096 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.53 ' NE2' HD21 ' B' ' 74' ' ' ASN . 0.8 OUTLIER -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.805 -1.184 . . . . 0.0 109.162 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.3 -35.78 74.41 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.011 -1.056 . . . . 0.0 108.712 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -59.99 -40.02 87.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.374 -0.829 . . . . 0.0 108.875 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.2 mt -71.49 113.85 8.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.07 -1.018 . . . . 0.0 109.082 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -134.29 -71.22 0.5 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.595 -0.691 . . . . 0.0 109.401 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.69 88.06 1.67 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -105.93 141.86 36.62 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.502 -0.749 . . . . 0.0 110.824 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 66.82 6.61 37.83 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.994 -1.642 . . . . 0.0 108.994 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.56 ' HB1' ' HA ' ' C' ' 60' ' ' ALA . . . -72.27 22.78 0.05 Allowed 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.557 -0.966 . . . . 0.0 109.568 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.74 109.73 2.34 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.171 -0.956 . . . . 0.0 109.674 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -102.22 12.29 36.94 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.196 -0.94 . . . . 0.0 110.205 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.509 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 6.1 mmt-85 -122.19 23.66 9.76 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.536 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER -148.93 151.83 35.32 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.596 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.2 t -106.69 60.78 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.162 -0.961 . . . . 0.0 109.148 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.94 157.99 43.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.193 -0.942 . . . . 0.0 110.001 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -129.41 134.31 47.79 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.9 t -96.36 122.18 38.96 Favored 'General case' 0 N--CA 1.501 2.102 0 CA-C-O 121.917 0.865 . . . . 0.0 110.931 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.51 120.85 43.05 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -130.61 81.19 68.35 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.313 -0.867 . . . . 0.0 109.032 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.7 68.34 7.63 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.842 2.361 . . . . 0.0 112.312 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.492 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 45.1 t90 -68.31 135.06 91.1 Favored Pre-proline 0 N--CA 1.49 1.566 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.492 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 91.9 Cg_exo -39.42 149.05 0.11 Allowed 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.368 1.379 . . . . 0.0 111.022 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.549 HD21 ' NE2' ' C' ' 52' ' ' GLN . 2.0 t30 -127.04 -59.32 1.26 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.345 -0.847 . . . . 0.0 109.034 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.38 126.46 36.47 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.4 t -80.67 109.01 14.8 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.026 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 mt -79.54 137.44 37.18 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 78' ' ' THR . 5.2 t -86.51 115.17 61.22 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.424 -0.797 . . . . 0.0 109.69 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -93.94 -45.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.031 0 C-N-CA 121.868 1.712 . . . . 0.0 113.458 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -121.41 -45.07 2.34 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.694 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 5.4 p90 -59.94 -50.11 75.03 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.395 -1.44 . . . . 0.0 113.424 -175.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.72 HD21 HH22 ' C' ' 41' ' ' ARG . 63.1 t30 -70.15 -39.73 75.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.143 -1.598 . . . . 0.0 111.015 -177.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -59.98 -49.84 76.08 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.901 -1.124 . . . . 0.0 110.387 -178.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -65.04 -41.91 94.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.525 -1.359 . . . . 0.0 109.852 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.6 p -71.72 -40.05 69.72 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.185 -0.947 . . . . 0.0 109.906 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -69.94 -39.97 75.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.012 -1.055 . . . . 0.0 109.26 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.01 -41.01 91.24 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.565 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.3 -41.44 96.99 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.112 -0.993 . . . . 0.0 108.532 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.499 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 59.1 t90 -59.98 -50.02 75.37 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.499 -0.75 . . . . 0.0 109.368 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.66 -40.47 96.92 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.369 -0.832 . . . . 0.0 109.396 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -60.19 -44.45 95.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.389 -0.819 . . . . 0.0 110.456 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -59.99 -41.84 92.95 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.816 -1.178 . . . . 0.0 109.58 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.94 -42.14 88.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.171 -0.956 . . . . 0.0 108.91 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -59.97 -45.52 92.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.416 -0.803 . . . . 0.0 110.225 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -64.61 -40.03 94.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.041 -1.037 . . . . 0.0 109.938 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.92 -40.56 83.37 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.896 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.455 ' O ' HG23 ' A' ' 101' ' ' THR . 88.8 tt0 -61.13 -48.72 80.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.14 -0.975 . . . . 0.0 109.194 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.84 -41.87 96.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.878 . . . . 0.0 109.502 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -65.93 -40.29 91.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.342 -0.849 . . . . 0.0 109.419 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.6 mt -68.6 -40.77 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.34 -0.85 . . . . 0.0 109.263 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 97' ' ' GLU . 35.4 p -61.72 -41.85 98.17 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.206 -0.934 . . . . 0.0 109.199 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.93 75.75 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.301 -0.874 . . . . 0.0 109.206 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.423 HD11 ' HE ' ' C' ' 23' ' ' ARG . 93.9 mt -60.66 -42.92 97.99 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.233 -0.917 . . . . 0.0 109.33 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.445 HD23 HD11 ' A' ' 18' ' ' LEU . 83.8 mt -60.07 -48.5 81.44 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.141 -0.975 . . . . 0.0 109.071 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.94 -48.55 81.23 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.158 -0.964 . . . . 0.0 109.278 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.69 -42.53 97.35 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.305 -0.872 . . . . 0.0 109.169 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.3 93.84 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.314 -0.867 . . . . 0.0 109.513 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.98 -46.19 90.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.135 -0.978 . . . . 0.0 109.471 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.04 -49.83 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 109.4 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -65.47 -40.07 92.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.327 -0.858 . . . . 0.0 109.793 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -59.97 -47.26 86.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.401 -0.812 . . . . 0.0 109.49 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.37 -41.57 98.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.185 -0.947 . . . . 0.0 109.473 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -61.58 -41.34 97.26 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.275 -0.891 . . . . 0.0 109.329 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -60.03 -48.46 81.63 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.143 -0.973 . . . . 0.0 109.083 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.49 -40.16 95.15 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.237 -0.914 . . . . 0.0 108.903 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -59.96 -47.76 84.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.412 -0.805 . . . . 0.0 108.938 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.02 -39.94 93.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.17 -0.957 . . . . 0.0 109.091 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 63.5 tp -60.05 -42.91 95.47 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.508 -0.745 . . . . 0.0 109.472 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.546 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.8 mt-30 -61.02 -40.56 94.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.252 -0.905 . . . . 0.0 110.17 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.07 -39.77 87.19 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.071 -1.018 . . . . 0.0 109.016 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.24 -47.66 84.52 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -123.79 61.14 1.09 Allowed 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.185 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.352 0.596 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -77.99 146.06 35.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.287 -0.883 . . . . 0.0 109.379 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 28.7 p -88.49 61.75 6.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.336 -0.853 . . . . 0.0 109.077 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -63.8 -40.07 95.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.553 -0.717 . . . . 0.0 109.289 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.436 ' H ' HG22 ' B' ' 5' ' ' THR . 0.1 OUTLIER -60.82 -41.45 95.78 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.135 -0.978 . . . . 0.0 108.981 179.754 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.2 tp -62.31 -42.24 99.2 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.06 -1.025 . . . . 0.0 108.755 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 32.6 mt -60.07 -40.07 88.26 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.52 -0.737 . . . . 0.0 109.929 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.97 87.52 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.1 -1.0 . . . . 0.0 108.778 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.67 -46.36 54.58 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.121 -1.591 . . . . 0.0 109.121 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.97 -46.26 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.304 -1.115 . . . . 0.0 109.727 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.03 -44.5 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.015 -1.053 . . . . 0.0 108.728 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.93 -40.0 94.0 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -0.899 . . . . 0.0 109.728 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.02 -41.95 93.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.167 -0.958 . . . . 0.0 109.312 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -60.38 -42.3 95.56 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.046 -1.033 . . . . 0.0 108.762 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.58 -43.45 98.83 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.343 -0.848 . . . . 0.0 109.013 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -60.1 -44.4 94.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.306 -0.871 . . . . 0.0 109.215 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.73 -41.94 98.3 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.297 -0.877 . . . . 0.0 109.457 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.452 HD11 HD23 ' B' ' 104' ' ' LEU . 63.6 tp -60.22 -42.58 95.48 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.403 -0.811 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -60.04 -47.55 85.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.886 . . . . 0.0 110.057 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.37 -41.02 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.13 -0.981 . . . . 0.0 109.518 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.99 -41.62 86.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.27 -0.894 . . . . 0.0 109.041 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -62.21 -41.09 98.06 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.435 -0.791 . . . . 0.0 109.125 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.435 ' HE ' HD11 ' C' ' 103' ' ' LEU . 53.7 mtt-85 -61.72 -40.03 93.61 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.354 -0.841 . . . . 0.0 109.951 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.99 -40.06 87.85 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.92 -1.113 . . . . 0.0 109.544 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -59.97 -49.7 76.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.124 -0.985 . . . . 0.0 109.057 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.37 -41.89 97.83 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.264 -0.898 . . . . 0.0 109.385 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.95 -40.98 95.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.891 . . . . 0.0 108.956 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.41 -39.93 89.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.436 -0.79 . . . . 0.0 109.428 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.02 -40.42 89.25 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.133 -0.979 . . . . 0.0 109.354 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.52 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 96.9 mt -61.69 -41.39 97.53 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.043 -1.036 . . . . 0.0 109.576 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.5 p -63.93 -40.36 96.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.0 109.759 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.1 t -61.45 -40.15 85.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.238 -0.913 . . . . 0.0 109.23 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -60.08 -43.5 95.44 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.337 -0.852 . . . . 0.0 110.398 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.41 -49.83 74.31 Favored Glycine 0 N--CA 1.488 2.148 0 C-N-CA 119.491 -1.338 . . . . 0.0 109.792 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.4 m -59.9 -50.08 75.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.129 -1.218 . . . . 0.0 110.005 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -61.43 -40.05 93.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.111 -0.993 . . . . 0.0 109.717 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.671 ' ND2' HH21 ' B' ' 41' ' ' ARG . 51.8 t-20 -60.0 -40.86 90.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.415 -0.803 . . . . 0.0 109.487 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.25 -40.02 88.8 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.212 -0.93 . . . . 0.0 109.507 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -59.98 -40.51 89.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.068 -1.02 . . . . 0.0 109.703 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' B' ' 37' ' ' ASN . 81.2 p -60.02 -40.52 89.62 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.939 -1.101 . . . . 0.0 108.399 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.716 HH22 HD21 ' C' ' 82' ' ' ASN . 71.5 mtt180 -66.46 -40.0 89.15 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.04 -40.09 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.501 -0.749 . . . . 0.0 109.162 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' B' ' 40' ' ' THR . 73.9 p -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.97 -1.081 . . . . 0.0 108.407 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.5 95.32 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.204 -0.935 . . . . 0.0 108.792 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 86.7 mt -60.05 -39.76 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.4 -0.813 . . . . 0.0 109.177 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.04 -39.97 87.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.9 . . . . 0.0 110.072 -178.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -62.51 -42.08 99.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.876 -1.14 . . . . 0.0 109.076 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 55.1 m-85 -65.58 -39.75 91.96 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.274 -0.891 . . . . 0.0 109.704 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 57.8 mt -59.95 -39.56 86.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.053 -1.03 . . . . 0.0 108.763 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.95 -39.98 87.41 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.041 -1.037 . . . . 0.0 108.251 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -60.05 -40.01 87.94 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.332 -0.855 . . . . 0.0 109.123 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.528 ' NE2' HD21 ' C' ' 74' ' ' ASN . 0.8 OUTLIER -59.96 -40.05 87.71 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.778 -1.201 . . . . 0.0 109.202 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -59.23 -35.68 74.08 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.962 -1.086 . . . . 0.0 108.63 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.217 -0.927 . . . . 0.0 108.88 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 63.8 mt -71.6 114.01 9.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.123 -0.985 . . . . 0.0 109.058 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -134.49 -70.79 0.5 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.578 -0.701 . . . . 0.0 109.35 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.93 88.09 1.65 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -105.97 141.78 36.79 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.531 -0.73 . . . . 0.0 110.777 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 66.69 6.86 38.25 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.531 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -72.69 22.66 0.06 Allowed 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.613 -0.934 . . . . 0.0 109.387 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.31 109.93 2.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.005 -1.059 . . . . 0.0 109.687 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -102.41 12.14 36.98 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.123 -0.985 . . . . 0.0 110.193 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.507 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 6.2 mmt-85 -122.17 23.76 9.73 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 177.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . 0.518 HE21 ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.13 151.88 35.15 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.61 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.1 t -106.78 60.79 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.168 -0.957 . . . . 0.0 109.036 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.79 158.08 43.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.241 -0.912 . . . . 0.0 109.927 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -129.6 134.32 47.65 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 2.8 t -96.47 122.16 39.08 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.24 -0.912 . . . . 0.0 110.979 -178.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.56 120.51 41.83 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.6 t -130.33 81.29 68.63 Favored Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 121.249 -0.907 . . . . 0.0 109.044 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -82.79 68.43 7.57 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.827 2.351 . . . . 0.0 112.373 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.496 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 45.5 t90 -68.24 135.27 91.29 Favored Pre-proline 0 N--CA 1.491 1.611 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.496 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 94.1 Cg_exo -39.68 149.05 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.358 1.372 . . . . 0.0 111.087 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.549 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 2.2 t30 -127.02 -59.56 1.25 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.381 -0.825 . . . . 0.0 109.077 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.13 126.31 36.17 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 30.5 t -80.36 108.75 14.23 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.697 -1.201 . . . . 0.0 108.145 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.1 mt -79.18 137.4 37.43 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.579 ' O ' HG23 ' B' ' 78' ' ' THR . 5.2 t -86.74 115.09 61.15 Favored Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.38 -0.825 . . . . 0.0 109.736 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -93.94 -46.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.047 0 C-N-CA 121.821 1.681 . . . . 0.0 113.464 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -121.29 -44.98 2.35 Favored 'General case' 0 N--CA 1.505 2.321 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.692 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 5.5 p90 -59.97 -50.14 74.92 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.329 -1.482 . . . . 0.0 113.402 -175.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.719 HD21 HH22 ' A' ' 41' ' ' ARG . 62.6 t30 -70.26 -39.67 74.84 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.162 -1.586 . . . . 0.0 111.094 -178.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -60.04 -49.7 76.62 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.928 -1.108 . . . . 0.0 110.4 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.26 -41.78 93.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.418 -1.427 . . . . 0.0 109.819 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 71.3 p -71.78 -40.02 69.53 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.194 -0.941 . . . . 0.0 109.913 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -69.97 -40.03 75.62 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.964 -1.085 . . . . 0.0 109.236 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.0 -41.08 91.3 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.909 -1.12 . . . . 0.0 108.508 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.16 -41.61 97.08 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.2 -0.938 . . . . 0.0 108.646 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.484 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.3 t90 -59.98 -50.05 75.29 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.444 -0.785 . . . . 0.0 109.302 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.53 -40.58 97.4 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.349 -0.845 . . . . 0.0 109.288 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -60.09 -44.64 94.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.359 -0.838 . . . . 0.0 110.491 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -60.02 -41.7 92.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.795 -1.19 . . . . 0.0 109.595 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 57.2 t -60.05 -42.04 88.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.11 -0.994 . . . . 0.0 108.925 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -59.96 -45.72 91.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.386 -0.821 . . . . 0.0 110.299 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -64.48 -40.02 94.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.961 -1.087 . . . . 0.0 109.931 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.85 -40.63 83.66 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 118.939 -1.104 . . . . 0.0 108.947 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 101' ' ' THR . 88.4 tt0 -60.97 -48.49 81.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.144 -0.973 . . . . 0.0 109.189 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.18 -41.61 97.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.408 -0.807 . . . . 0.0 109.52 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -66.03 -40.0 90.66 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.283 -0.886 . . . . 0.0 109.523 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 84.9 mt -69.09 -40.04 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.451 -0.781 . . . . 0.0 109.191 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . 0.449 HG23 ' O ' ' B' ' 97' ' ' GLU . 34.4 p -62.37 -41.66 98.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.149 -0.969 . . . . 0.0 109.052 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.82 76.17 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.186 -0.946 . . . . 0.0 109.323 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.445 HD11 ' HE ' ' A' ' 23' ' ' ARG . 94.4 mt -60.94 -42.91 99.12 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.256 -0.903 . . . . 0.0 109.27 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.452 HD23 HD11 ' B' ' 18' ' ' LEU . 83.7 mt -59.95 -48.51 81.41 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.136 -0.978 . . . . 0.0 109.141 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.01 -48.57 81.18 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.075 -1.016 . . . . 0.0 109.303 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.76 -42.38 97.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.323 -0.861 . . . . 0.0 109.257 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.08 94.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.35 -0.844 . . . . 0.0 109.48 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.99 -46.29 89.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.159 -0.963 . . . . 0.0 109.479 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.07 -49.88 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.238 -0.914 . . . . 0.0 109.455 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -65.22 -40.09 93.66 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.316 -0.865 . . . . 0.0 109.738 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -60.02 -47.79 84.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.219 -0.925 . . . . 0.0 109.382 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.66 -42.1 99.43 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.119 -0.988 . . . . 0.0 109.387 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -61.11 -41.49 96.77 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.321 -0.862 . . . . 0.0 109.439 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -60.04 -48.78 80.3 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.155 -0.966 . . . . 0.0 108.992 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.1 -40.1 95.49 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.324 -0.86 . . . . 0.0 108.977 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -60.06 -47.95 83.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.386 -0.821 . . . . 0.0 108.914 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.68 -39.94 93.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.238 -0.914 . . . . 0.0 109.14 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.06 -43.08 95.67 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.444 -0.785 . . . . 0.0 109.466 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.546 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.8 mt-30 -60.81 -40.45 92.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.23 -0.919 . . . . 0.0 110.174 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -60.44 -39.77 88.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.003 -1.061 . . . . 0.0 108.963 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.15 -47.5 85.05 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -123.87 61.1 1.09 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.546 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.209 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -78.03 146.05 35.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.275 -0.89 . . . . 0.0 109.484 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 28.8 p -88.46 61.84 6.32 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 109.006 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -63.93 -40.01 95.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.476 -0.765 . . . . 0.0 109.261 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.406 HG22 ' H ' ' C' ' 5' ' ' THR . 0.1 OUTLIER -60.9 -41.79 96.78 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.161 -0.962 . . . . 0.0 109.005 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.96 -42.09 98.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.061 -1.024 . . . . 0.0 108.709 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 mt -60.36 -40.02 89.25 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.567 -0.708 . . . . 0.0 109.96 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.94 87.49 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.096 -1.003 . . . . 0.0 108.772 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.67 -46.36 54.58 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.02 -46.19 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.411 -1.052 . . . . 0.0 109.704 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.97 -44.41 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.036 -1.04 . . . . 0.0 108.813 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.05 -39.94 94.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.164 -0.96 . . . . 0.0 109.8 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.06 -41.96 93.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.201 -0.937 . . . . 0.0 109.2 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -60.32 -42.09 94.89 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.052 -1.03 . . . . 0.0 108.756 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.71 -43.54 98.66 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.449 -0.782 . . . . 0.0 109.055 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -60.07 -44.45 94.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.325 -0.859 . . . . 0.0 109.186 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.57 -41.93 98.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.311 -0.868 . . . . 0.0 109.533 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.463 HD11 HD23 ' C' ' 104' ' ' LEU . 63.6 tp -60.27 -42.77 96.1 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.322 -0.861 . . . . 0.0 109.207 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.95 -47.64 84.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.258 -0.901 . . . . 0.0 110.057 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.09 -41.1 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.078 -1.014 . . . . 0.0 109.688 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -41.71 86.94 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.442 -0.786 . . . . 0.0 108.972 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -62.12 -41.0 97.8 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.405 -0.81 . . . . 0.0 109.245 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.423 ' HE ' HD11 ' A' ' 103' ' ' LEU . 52.0 mtt-85 -61.89 -39.95 93.73 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.439 -0.788 . . . . 0.0 109.865 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.01 -40.1 88.12 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.007 -1.058 . . . . 0.0 109.455 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -60.02 -49.76 76.41 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.152 -0.967 . . . . 0.0 109.06 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.22 -41.86 97.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.958 . . . . 0.0 109.447 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.91 -41.03 95.34 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.349 -0.844 . . . . 0.0 109.025 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.38 -39.98 89.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.451 -0.781 . . . . 0.0 109.421 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.01 -40.45 89.3 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.156 -0.965 . . . . 0.0 109.468 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.499 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 95.9 mt -61.76 -41.66 97.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.145 -0.972 . . . . 0.0 109.542 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -63.62 -40.36 96.7 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.083 -1.01 . . . . 0.0 109.765 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 71.9 t -61.64 -39.95 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.248 -0.908 . . . . 0.0 109.164 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -60.08 -43.42 95.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.324 -0.86 . . . . 0.0 110.469 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.32 -49.98 72.67 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -59.94 -49.97 75.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.088 -1.242 . . . . 0.0 109.916 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.57 -39.99 93.11 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.183 -0.948 . . . . 0.0 109.685 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.664 ' ND2' HH21 ' C' ' 41' ' ' ARG . 52.0 t-20 -60.02 -40.6 89.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.416 -0.803 . . . . 0.0 109.516 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.42 -40.06 89.66 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.132 -0.98 . . . . 0.0 109.563 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -59.96 -40.57 89.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.102 -0.999 . . . . 0.0 109.719 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 81.5 p -60.11 -40.39 89.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.84 -1.162 . . . . 0.0 108.497 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.72 HH22 HD21 ' A' ' 82' ' ' ASN . 71.3 mtt180 -66.52 -40.04 88.94 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.96 -40.06 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.446 -0.784 . . . . 0.0 109.202 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 72.4 p -60.05 -39.97 87.78 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.86 -1.136 . . . . 0.0 108.5 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.44 95.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.206 -0.934 . . . . 0.0 108.924 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.05 -39.72 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.389 -0.82 . . . . 0.0 109.149 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.03 -39.98 87.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.258 -0.901 . . . . 0.0 110.044 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -62.59 -41.96 99.27 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.77 -1.206 . . . . 0.0 109.048 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 55.3 m-85 -65.76 -39.52 91.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.378 -0.826 . . . . 0.0 109.664 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.99 -39.55 86.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.976 -1.077 . . . . 0.0 108.767 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.95 -40.0 87.5 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -60.01 -39.93 87.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.319 -0.863 . . . . 0.0 109.225 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.549 ' NE2' HD21 ' A' ' 74' ' ' ASN . 0.8 OUTLIER -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.755 -1.215 . . . . 0.0 109.058 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -59.28 -35.87 74.53 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.013 -1.054 . . . . 0.0 108.628 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.96 -40.06 87.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.395 -0.815 . . . . 0.0 108.862 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 66.1 mt -71.3 113.85 8.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.121 -0.987 . . . . 0.0 109.034 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -134.25 -71.15 0.5 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.549 -0.719 . . . . 0.0 109.396 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.93 88.13 1.66 Allowed 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -105.93 142.17 36.09 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.499 -0.751 . . . . 0.0 110.666 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 66.52 6.69 36.3 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.108 -1.597 . . . . 0.0 109.108 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . 0.56 ' HA ' ' HB1' ' A' ' 60' ' ' ALA . . . -72.57 22.94 0.06 Allowed 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.588 -0.948 . . . . 0.0 109.541 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 61' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.74 109.6 2.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.14 -0.975 . . . . 0.0 109.686 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -102.13 12.0 37.44 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.135 -0.978 . . . . 0.0 110.283 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . 0.506 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 6.3 mmt-85 -121.91 23.67 9.94 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 177.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . 0.527 HE21 ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -148.99 151.85 35.28 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.547 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.2 t -106.62 60.6 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.149 -0.969 . . . . 0.0 109.197 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.86 158.15 43.79 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.233 -0.917 . . . . 0.0 109.873 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -129.54 134.28 47.67 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 2.9 t -96.19 122.41 39.02 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.256 -0.902 . . . . 0.0 111.005 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.85 120.74 42.48 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -130.72 80.99 68.73 Favored Pre-proline 0 N--CA 1.498 1.939 0 O-C-N 121.283 -0.885 . . . . 0.0 108.993 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.61 68.43 7.65 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 122.854 2.369 . . . . 0.0 112.421 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.497 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 45.5 t90 -68.28 135.52 91.22 Favored Pre-proline 0 N--CA 1.491 1.584 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.497 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 95.7 Cg_exo -39.52 148.98 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.175 0 C-N-CA 121.383 1.388 . . . . 0.0 111.104 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 2.1 t30 -127.14 -59.46 1.24 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.371 -0.83 . . . . 0.0 109.053 -179.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.3 126.4 36.37 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 30.0 t -80.6 109.03 14.73 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.798 -1.189 . . . . 0.0 108.196 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 mt -79.54 137.31 37.13 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.583 HG23 ' O ' ' C' ' 78' ' ' THR . 5.2 t -86.69 115.15 61.31 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.316 -0.865 . . . . 0.0 109.74 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -93.83 -45.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.047 0 C-N-CA 121.892 1.728 . . . . 0.0 113.488 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -121.37 -44.96 2.35 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -177.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.681 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 5.5 p90 -60.08 -49.99 75.48 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.252 -1.53 . . . . 0.0 113.41 -175.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.716 HD21 HH22 ' B' ' 41' ' ' ARG . 62.9 t30 -70.39 -39.77 74.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.144 -1.597 . . . . 0.0 111.164 -178.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . 0.402 HD21 ' NE2' ' C' ' 87' ' ' GLN . 13.3 t-20 -60.06 -49.51 77.38 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.974 -1.079 . . . . 0.0 110.408 -178.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -65.33 -41.84 93.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.473 -1.392 . . . . 0.0 109.863 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 72.5 p -71.7 -39.89 69.89 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.118 -0.989 . . . . 0.0 109.836 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 36.2 t-105 -70.09 -39.97 75.26 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.942 -1.099 . . . . 0.0 109.17 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . 0.402 ' NE2' HD21 ' C' ' 83' ' ' ASN . 88.6 mt-30 -60.01 -40.98 91.11 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 118.849 -1.141 . . . . 0.0 108.573 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.5 -41.27 97.05 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.147 -0.971 . . . . 0.0 108.555 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.52 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 59.7 t90 -60.03 -49.95 75.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.461 -0.774 . . . . 0.0 109.343 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.67 -40.66 97.39 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.352 -0.842 . . . . 0.0 109.39 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -60.02 -44.54 94.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.425 -0.797 . . . . 0.0 110.496 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.01 -41.72 92.76 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.854 -1.154 . . . . 0.0 109.653 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 61.0 t -60.03 -42.13 88.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.152 -0.968 . . . . 0.0 108.947 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.92 -45.54 92.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.42 -0.8 . . . . 0.0 110.264 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -64.77 -39.89 94.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.008 -1.058 . . . . 0.0 109.895 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.16 -40.51 82.34 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 119.005 -1.078 . . . . 0.0 108.891 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . 0.439 ' O ' HG23 ' C' ' 101' ' ' THR . 88.3 tt0 -60.97 -48.74 80.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.128 -0.982 . . . . 0.0 109.09 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.83 -41.86 96.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.398 -0.814 . . . . 0.0 109.517 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -65.94 -40.07 91.04 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.318 -0.864 . . . . 0.0 109.414 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 85.2 mt -68.97 -40.36 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.331 -0.855 . . . . 0.0 109.24 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . 0.439 HG23 ' O ' ' C' ' 97' ' ' GLU . 35.4 p -62.06 -41.53 98.24 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.159 -0.963 . . . . 0.0 109.264 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.8 76.25 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.296 -0.878 . . . . 0.0 109.261 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . 0.435 HD11 ' HE ' ' B' ' 23' ' ' ARG . 94.5 mt -61.12 -42.71 99.03 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.192 -0.943 . . . . 0.0 109.269 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . 0.463 HD23 HD11 ' C' ' 18' ' ' LEU . 83.6 mt -60.0 -48.63 80.91 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.149 -0.969 . . . . 0.0 109.088 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.04 -48.33 82.17 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.116 -0.99 . . . . 0.0 109.345 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.81 -42.83 98.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.255 -0.903 . . . . 0.0 109.216 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.19 93.75 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.324 -0.86 . . . . 0.0 109.437 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.95 -46.3 89.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.121 -0.987 . . . . 0.0 109.498 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.01 -49.8 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.33 -0.857 . . . . 0.0 109.351 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -65.39 -40.02 92.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.247 -0.908 . . . . 0.0 109.753 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.98 -47.11 87.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.307 -0.871 . . . . 0.0 109.476 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.74 -41.05 98.09 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.171 -0.956 . . . . 0.0 109.479 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -62.12 -41.18 97.98 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.319 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -59.96 -48.77 80.36 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.148 -0.97 . . . . 0.0 109.112 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.19 -40.22 95.63 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.291 -0.88 . . . . 0.0 108.919 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -59.99 -47.89 83.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.381 -0.825 . . . . 0.0 108.959 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.73 -40.08 93.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.182 -0.948 . . . . 0.0 109.09 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.02 -42.88 95.3 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.453 -0.779 . . . . 0.0 109.359 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.8 mt-30 -60.99 -40.84 95.04 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.272 -0.892 . . . . 0.0 110.049 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -59.97 -39.32 85.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.983 -1.073 . . . . 0.0 109.288 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.78 -47.47 85.56 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -123.77 61.32 1.08 Allowed 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.544 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.245 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.463 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 48.0 mt-30 -69.64 143.91 53.09 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.257 -0.902 . . . . 0.0 109.467 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -89.15 59.97 5.16 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.375 -0.828 . . . . 0.0 108.878 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -62.91 -40.11 96.58 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.331 -0.855 . . . . 0.0 109.023 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.54 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.5 t -61.49 -44.9 96.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.378 -0.826 . . . . 0.0 109.906 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.54 ' N ' HG23 ' A' ' 5' ' ' THR . 57.3 tp -60.34 -42.46 95.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.028 . . . . 0.0 109.231 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.5 mt -60.48 -39.95 89.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.424 -0.797 . . . . 0.0 109.888 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.08 87.74 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.82 -48.23 50.26 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.06 -47.74 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.24 -1.153 . . . . 0.0 109.664 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.93 -41.09 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.061 -1.025 . . . . 0.0 108.949 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -60.12 -40.2 88.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.529 -0.732 . . . . 0.0 109.536 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -59.92 -41.62 92.14 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.303 -0.873 . . . . 0.0 109.49 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.15 -41.03 96.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.953 -1.092 . . . . 0.0 109.11 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.14 -45.72 92.06 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.35 -0.844 . . . . 0.0 108.866 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.82 -43.38 98.3 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.297 -0.877 . . . . 0.0 109.663 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.81 -41.79 98.2 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.213 -0.929 . . . . 0.0 109.475 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.17 -43.61 95.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.163 -0.961 . . . . 0.0 109.244 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -60.29 -47.79 84.49 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.353 -0.842 . . . . 0.0 109.638 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.6 t -60.03 -40.4 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.973 -1.08 . . . . 0.0 109.95 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.05 -43.08 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.196 -0.94 . . . . 0.0 108.532 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -61.36 -40.78 95.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.388 -0.82 . . . . 0.0 109.176 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.474 ' NH1' HD22 ' B' ' 99' ' ' ASN . 30.1 mmt180 -60.59 -40.07 90.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.277 -0.89 . . . . 0.0 109.537 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.89 -40.29 92.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.04 -1.038 . . . . 0.0 109.724 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.01 -48.96 79.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.147 -0.971 . . . . 0.0 109.156 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.14 -43.53 95.63 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.309 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.1 -41.37 98.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.359 -0.838 . . . . 0.0 109.26 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.09 -40.36 89.35 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.501 -0.75 . . . . 0.0 109.358 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.4 -41.35 93.69 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.272 -0.892 . . . . 0.0 109.788 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.517 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 78.6 mt -64.36 -40.43 95.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.99 -1.069 . . . . 0.0 109.32 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.1 p -64.23 -40.24 95.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.181 -0.949 . . . . 0.0 109.574 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.06 -40.1 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.358 -0.839 . . . . 0.0 109.54 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -60.15 -41.88 93.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.322 -0.861 . . . . 0.0 109.805 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.17 -44.41 97.42 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -60.09 -49.99 75.47 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.173 -1.192 . . . . 0.0 109.385 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -63.11 -39.89 96.01 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.321 -0.862 . . . . 0.0 109.046 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.605 HD21 ' NH2' ' A' ' 41' ' ' ARG . 59.5 t-20 -60.03 -40.64 90.06 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.39 -0.819 . . . . 0.0 109.773 -178.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.63 -39.93 90.09 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.06 -1.025 . . . . 0.0 108.507 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.2 -40.61 90.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.163 -0.96 . . . . 0.0 109.388 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.4 p -60.73 -41.24 94.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.825 -1.172 . . . . 0.0 108.85 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.605 ' NH2' HD21 ' A' ' 37' ' ' ASN . 29.4 mtt-85 -65.6 -39.97 92.15 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.5 t -60.34 -42.37 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.574 -0.704 . . . . 0.0 109.319 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.5 p -60.12 -40.02 88.28 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.924 -1.11 . . . . 0.0 109.177 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.28 95.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.999 -1.063 . . . . 0.0 108.228 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.13 -38.66 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.759 -0.588 . . . . 0.0 109.904 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.99 -41.04 91.18 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.62 -46.07 91.66 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 119.803 -0.759 . . . . 0.0 109.204 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 45.8 m-85 -64.27 -39.98 95.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 110.193 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.502 HD23 ' NE2' ' A' ' 52' ' ' GLN . 82.5 mt -60.18 -41.08 92.15 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.724 -1.235 . . . . 0.0 109.118 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -60.28 -39.92 88.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.783 -1.198 . . . . 0.0 109.177 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.07 -37.91 81.27 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.501 -0.749 . . . . 0.0 109.143 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.515 ' OE1' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.23 -39.76 83.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 0.0 108.336 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.428 ' O ' ' OD1' ' A' ' 56' ' ' ASN . . . -59.66 -35.97 75.49 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.124 -0.985 . . . . 0.0 109.108 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.14 -39.77 83.45 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.395 -0.816 . . . . 0.0 108.838 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.6 mt -79.43 113.5 17.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.833 -1.167 . . . . 0.0 108.674 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.447 HD22 HD13 ' C' ' 55' ' ' LEU . 33.7 m120 -132.98 -68.16 0.6 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.476 -0.765 . . . . 0.0 109.265 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.35 88.36 1.57 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.402 ' C ' ' H ' ' A' ' 60' ' ' ALA . 46.6 m95 -109.0 147.32 32.48 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.55 -0.718 . . . . 0.0 110.236 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.36 0.52 11.27 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.479 ' HB1' ' HA ' ' C' ' 60' ' ' ALA . . . -72.06 25.75 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.524 -0.986 . . . . 0.0 109.554 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.68 115.08 3.01 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.024 -1.048 . . . . 0.0 109.891 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -112.38 12.6 20.17 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 121.49 -0.756 . . . . 0.0 110.698 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.62 HH21 HH21 ' C' ' 63' ' ' ARG . 6.0 ptp180 -133.4 25.35 4.13 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -142.59 151.63 41.72 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 t -105.2 59.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.094 -1.004 . . . . 0.0 108.752 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.36 157.59 40.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.298 -0.876 . . . . 0.0 110.2 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -129.26 133.22 47.41 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 68' ' ' THR . 4.5 t -96.89 119.22 34.97 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.236 -0.915 . . . . 0.0 110.625 -177.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.522 ' O ' HG23 ' A' ' 69' ' ' THR . 6.8 t -117.14 120.73 39.21 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.42 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 81.9 t -126.07 91.04 48.93 Favored Pre-proline 0 N--CA 1.502 2.133 0 O-C-N 121.311 -0.868 . . . . 0.0 109.53 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -85.8 62.37 5.34 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.759 2.306 . . . . 0.0 112.363 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.524 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 55.7 t90 -69.98 130.31 90.03 Favored Pre-proline 0 N--CA 1.49 1.574 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.524 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 80.2 Cg_exo -40.46 146.67 0.28 Allowed 'Trans proline' 0 N--CA 1.488 1.181 0 C-N-CA 121.055 1.17 . . . . 0.0 111.176 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.515 ' ND2' ' OE1' ' A' ' 52' ' ' GLN . 10.3 t-20 -132.61 10.03 4.33 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.367 -0.833 . . . . 0.0 109.21 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.34 121.61 8.98 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.4 p -82.07 105.0 12.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.83 -1.169 . . . . 0.0 108.595 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.1 mt -82.14 137.22 35.02 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.444 ' OG1' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -88.24 113.57 55.71 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.132 -0.98 . . . . 0.0 109.448 179.216 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -95.02 -48.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.031 0 C-N-CA 121.587 1.525 . . . . 0.0 113.869 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.59 -46.91 2.12 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.208 -0.932 . . . . 0.0 112.926 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.686 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 7.5 p90 -60.06 -56.71 18.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.256 -1.527 . . . . 0.0 112.156 -176.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.686 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.5 OUTLIER -80.09 -36.4 35.54 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.421 -1.424 . . . . 0.0 109.597 -179.208 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -60.06 -49.88 75.91 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.07 -1.018 . . . . 0.0 109.384 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.56 -44.56 96.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.936 -1.103 . . . . 0.0 109.679 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 81' ' ' TRP . 66.8 p -63.54 -40.08 96.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.021 -1.049 . . . . 0.0 109.682 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.405 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 47.0 t-105 -61.78 -39.86 93.15 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.935 -1.103 . . . . 0.0 109.788 -179.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.23 -42.67 95.72 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.892 -1.13 . . . . 0.0 108.865 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.13 -43.16 95.88 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.547 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 72.0 t90 -60.0 -50.14 74.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.543 -0.723 . . . . 0.0 109.761 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -64.05 -40.4 96.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.095 -1.003 . . . . 0.0 109.641 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -64.81 -40.07 94.61 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.098 -1.001 . . . . 0.0 110.226 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.08 -41.88 93.42 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.783 -1.198 . . . . 0.0 109.156 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.85 -40.47 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.04 -1.037 . . . . 0.0 109.411 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.61 -41.47 94.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.128 -0.982 . . . . 0.0 110.6 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -69.86 -39.99 76.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.905 -1.122 . . . . 0.0 109.8 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.57 -40.42 92.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.217 -0.927 . . . . 0.0 109.668 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.27 -49.15 78.73 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.142 -0.974 . . . . 0.0 108.909 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.34 -43.25 96.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.393 -0.817 . . . . 0.0 109.405 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.514 HD22 ' NH1' ' C' ' 23' ' ' ARG . 98.6 m-20 -63.17 -40.62 98.06 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.298 -0.876 . . . . 0.0 109.888 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 85.5 mt -66.32 -41.88 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.993 -1.067 . . . . 0.0 109.16 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.5 p -60.88 -41.3 95.72 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.095 -1.003 . . . . 0.0 109.263 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.01 -46.29 91.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.172 -0.955 . . . . 0.0 109.574 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.08 -44.49 96.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.382 -0.824 . . . . 0.0 109.751 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.15 -40.24 95.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.177 -0.952 . . . . 0.0 108.979 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.77 -41.9 96.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.205 -0.934 . . . . 0.0 109.628 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.16 -39.95 78.46 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.103 -0.998 . . . . 0.0 109.201 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.452 ' N ' HE22 ' C' ' 16' ' ' GLN . . . -61.58 -43.82 98.16 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.352 -0.842 . . . . 0.0 109.674 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.08 -48.06 83.31 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.138 -0.976 . . . . 0.0 109.194 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.14 -49.75 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.222 -0.924 . . . . 0.0 108.957 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -63.63 -40.89 98.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.588 -0.695 . . . . 0.0 109.802 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -60.12 -49.85 75.99 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.983 -1.073 . . . . 0.0 109.275 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -62.04 -40.62 96.38 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.424 -0.798 . . . . 0.0 109.714 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -64.57 -40.23 95.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.331 -0.856 . . . . 0.0 109.768 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -68.23 -40.46 82.03 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.985 -1.072 . . . . 0.0 109.514 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.88 -39.99 75.95 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.212 -0.93 . . . . 0.0 108.83 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . 0.589 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 64.9 t80 -60.33 -48.65 80.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.614 -0.679 . . . . 0.0 109.357 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.28 -40.0 92.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.133 -0.979 . . . . 0.0 109.587 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.23 -42.86 96.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.195 -0.94 . . . . 0.0 109.857 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.6 mt-30 -61.25 -40.16 93.01 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.11 -0.994 . . . . 0.0 110.036 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.589 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.2 mmtm -60.11 -39.59 86.72 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.227 -0.921 . . . . 0.0 109.277 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 98.8 mt -57.67 -47.34 82.58 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -124.16 60.58 1.13 Allowed 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.8 p . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.993 -1.003 . . . . 0.0 108.942 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.508 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 48.7 mt-30 -69.96 144.18 52.43 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.277 -0.889 . . . . 0.0 109.539 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -89.25 60.6 5.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.134 -0.978 . . . . 0.0 108.656 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.57 -39.97 95.76 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.405 -0.809 . . . . 0.0 109.006 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.554 HG23 ' N ' ' B' ' 6' ' ' LEU . 15.0 t -61.69 -44.85 96.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.579 -0.701 . . . . 0.0 109.806 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.554 ' N ' HG23 ' B' ' 5' ' ' THR . 55.9 tp -60.19 -42.62 95.43 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.053 -1.029 . . . . 0.0 108.927 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 59.7 mt -60.64 -39.89 89.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.326 -0.859 . . . . 0.0 109.875 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.0 87.33 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.915 -1.115 . . . . 0.0 108.113 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.79 -48.37 49.53 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.95 -47.56 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.214 -1.168 . . . . 0.0 109.621 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.14 -41.11 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.182 -0.949 . . . . 0.0 109.107 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -60.05 -40.21 88.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.445 -0.785 . . . . 0.0 109.222 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.05 -41.63 92.74 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.252 -0.905 . . . . 0.0 109.438 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.89 -41.22 95.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.073 -1.017 . . . . 0.0 109.168 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.94 -45.71 91.74 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.312 -0.867 . . . . 0.0 109.036 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.476 HE22 ' N ' ' C' ' 107' ' ' ALA . 28.4 mt-30 -60.77 -43.37 98.12 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.372 -0.83 . . . . 0.0 109.574 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.99 -42.33 99.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.323 -0.861 . . . . 0.0 109.506 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.1 tp -59.94 -43.44 94.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.164 -0.96 . . . . 0.0 109.242 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.27 -47.62 85.23 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.299 -0.876 . . . . 0.0 109.776 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -60.35 -40.21 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.156 -0.965 . . . . 0.0 109.916 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.18 -42.39 90.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.277 -0.889 . . . . 0.0 108.844 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -62.17 -40.27 95.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.547 -0.72 . . . . 0.0 109.221 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.61 ' NH1' HD22 ' C' ' 99' ' ' ASN . 30.2 mmt180 -61.11 -40.05 92.31 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.818 . . . . 0.0 109.397 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.28 -39.98 92.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.084 -1.01 . . . . 0.0 109.511 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.0 -48.78 80.31 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.088 -1.008 . . . . 0.0 109.057 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.61 -43.6 97.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.242 -0.911 . . . . 0.0 109.348 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.78 -41.56 97.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.223 -0.923 . . . . 0.0 109.264 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.12 -40.12 88.61 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.516 -0.74 . . . . 0.0 109.323 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -60.48 -41.14 93.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 109.848 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.545 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 80.5 mt -64.53 -40.48 95.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.106 -0.996 . . . . 0.0 109.369 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 61.3 p -64.29 -40.05 95.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.174 -0.954 . . . . 0.0 109.529 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.3 -40.2 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.264 -0.897 . . . . 0.0 109.472 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -59.95 -42.1 93.3 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.215 -0.928 . . . . 0.0 109.93 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -44.75 96.92 Favored Glycine 0 N--CA 1.486 2.026 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 89.4 m -60.16 -50.01 75.35 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.124 -1.221 . . . . 0.0 109.115 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -62.91 -39.94 96.09 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.263 -0.898 . . . . 0.0 109.19 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.593 HD21 ' NH2' ' B' ' 41' ' ' ARG . 60.3 t-20 -59.99 -40.55 89.58 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.223 -0.923 . . . . 0.0 109.66 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.401 ' O ' HG23 ' B' ' 42' ' ' VAL . 89.2 mt -60.29 -40.05 89.08 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.921 -1.112 . . . . 0.0 108.653 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.02 -41.0 91.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.202 -0.936 . . . . 0.0 109.36 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 46.5 p -60.28 -41.54 93.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.021 -1.049 . . . . 0.0 108.935 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.593 ' NH2' HD21 ' B' ' 37' ' ' ASN . 28.4 mtt-85 -65.68 -40.05 91.95 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 38' ' ' LEU . 58.6 t -60.28 -42.2 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.539 -0.726 . . . . 0.0 109.464 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 51.1 p -60.0 -40.1 88.04 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.03 -1.044 . . . . 0.0 109.24 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.07 96.44 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.6 mt -63.09 -38.43 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.756 -0.59 . . . . 0.0 109.761 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.04 -41.24 91.85 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.29 -46.27 90.44 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.489 -0.757 . . . . 0.0 109.318 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.448 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 46.3 m-85 -63.86 -40.3 96.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.417 -0.802 . . . . 0.0 110.112 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.503 HD23 ' NE2' ' B' ' 52' ' ' GLN . 82.0 mt -60.06 -40.4 89.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.779 -1.2 . . . . 0.0 109.147 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.21 -39.84 91.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.748 -1.22 . . . . 0.0 109.012 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.03 -37.88 81.08 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.438 -0.789 . . . . 0.0 109.291 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.503 ' NE2' HD23 ' B' ' 49' ' ' LEU . 0.0 OUTLIER -59.22 -39.87 84.06 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.122 -0.986 . . . . 0.0 108.417 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.427 ' O ' ' OD1' ' B' ' 56' ' ' ASN . . . -59.42 -35.75 74.58 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.244 -0.91 . . . . 0.0 109.204 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.25 -40.04 84.72 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -79.41 113.57 17.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.914 -1.116 . . . . 0.0 108.677 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' B' ' 53' ' ' ALA . 33.2 m120 -133.01 -68.79 0.58 Allowed 'General case' 0 N--CA 1.5 2.039 0 CA-C-O 121.571 0.7 . . . . 0.0 109.397 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.54 88.04 1.61 Allowed 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' TRP . . . . . 0.402 ' C ' ' H ' ' B' ' 60' ' ' ALA . 47.8 m95 -108.73 146.81 32.94 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.497 -0.752 . . . . 0.0 110.428 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.498 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.58 0.61 12.78 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.023 -1.631 . . . . 0.0 109.023 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.442 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -71.89 25.28 0.05 OUTLIER 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.472 -1.017 . . . . 0.0 109.43 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.46 115.31 3.11 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.825 -1.172 . . . . 0.0 109.946 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -112.78 12.44 19.57 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.607 -0.683 . . . . 0.0 110.604 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.555 HH21 HH21 ' C' ' 63' ' ' ARG . 5.9 ptp180 -132.91 25.3 4.3 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -142.61 151.77 41.83 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.7 t -105.38 59.35 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.004 -1.06 . . . . 0.0 108.582 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.12 157.34 40.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.0 110.207 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -129.22 133.49 47.56 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 4.4 t -97.18 119.58 35.94 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.198 -0.939 . . . . 0.0 110.497 -177.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.513 ' O ' HG23 ' B' ' 69' ' ' THR . 6.2 t -117.29 120.63 38.83 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.4 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 93.9 t -125.99 90.73 49.65 Favored Pre-proline 0 N--CA 1.503 2.185 0 O-C-N 121.371 -0.831 . . . . 0.0 109.658 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -85.51 62.43 5.61 Favored 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 122.455 2.104 . . . . 0.0 112.344 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.527 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 54.2 t90 -69.96 129.98 90.38 Favored Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.256 -0.903 . . . . 0.0 108.604 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.527 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 81.4 Cg_exo -40.09 146.71 0.24 Allowed 'Trans proline' 0 N--CA 1.49 1.302 0 C-N-CA 121.114 1.209 . . . . 0.0 111.113 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.5 ' ND2' ' OE1' ' B' ' 52' ' ' GLN . 10.5 t-20 -132.79 9.86 4.25 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.247 -0.908 . . . . 0.0 109.148 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.24 121.39 8.9 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 96.2 p -81.95 105.01 12.72 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.963 -1.086 . . . . 0.0 108.81 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 26.0 mt -82.36 137.18 34.83 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.442 ' OG1' ' CB ' ' B' ' 82' ' ' ASN . 0.0 OUTLIER -88.4 113.26 54.59 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.298 -0.876 . . . . 0.0 109.306 179.472 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -94.97 -47.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 121.664 1.576 . . . . 0.0 113.901 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -123.04 -46.51 2.08 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.285 -0.885 . . . . 0.0 112.932 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.694 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 7.8 p90 -60.4 -56.94 15.37 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.343 -1.473 . . . . 0.0 112.179 -176.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.694 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.5 OUTLIER -79.99 -36.59 35.78 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.461 -1.399 . . . . 0.0 109.618 -179.326 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -59.94 -49.59 77.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.069 -1.019 . . . . 0.0 109.553 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.81 -44.5 96.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.063 -1.023 . . . . 0.0 109.757 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.547 HG23 ' O ' ' B' ' 81' ' ' TRP . 66.8 p -63.34 -40.05 96.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.032 -1.042 . . . . 0.0 109.822 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . 0.407 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 47.0 t-105 -61.93 -40.02 94.06 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.064 -1.023 . . . . 0.0 109.576 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.13 -43.12 95.93 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.067 -1.053 . . . . 0.0 108.749 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.15 -42.76 95.6 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.517 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 71.8 t90 -60.05 -49.76 76.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.324 -0.86 . . . . 0.0 109.954 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -64.55 -40.4 95.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 109.486 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -64.24 -40.29 95.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.16 -0.963 . . . . 0.0 110.337 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -59.99 -42.11 93.51 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.823 -1.173 . . . . 0.0 109.145 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.59 -40.44 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.097 -1.002 . . . . 0.0 109.498 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.77 -41.21 95.08 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.106 -0.996 . . . . 0.0 110.514 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -69.9 -40.1 75.84 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.946 -1.096 . . . . 0.0 109.78 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.68 -40.33 92.25 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.153 -0.967 . . . . 0.0 109.617 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.17 -49.13 78.85 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.078 -1.014 . . . . 0.0 109.122 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.31 -43.31 96.47 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.355 -0.841 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.474 HD22 ' NH1' ' A' ' 23' ' ' ARG . 98.6 m-20 -63.27 -40.37 97.21 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.299 -0.876 . . . . 0.0 109.984 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 86.6 mt -66.55 -41.5 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.143 -0.973 . . . . 0.0 109.123 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 24.2 p -61.59 -40.48 94.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.085 -1.009 . . . . 0.0 109.168 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.74 92.32 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.242 -0.911 . . . . 0.0 109.545 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.66 -43.46 98.76 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.186 -0.946 . . . . 0.0 109.913 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.24 -40.13 96.56 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.081 -1.012 . . . . 0.0 108.988 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.37 -42.25 95.44 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.254 -0.904 . . . . 0.0 109.522 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -68.88 -39.99 79.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.081 -1.012 . . . . 0.0 109.233 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.97 97.82 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.375 -0.828 . . . . 0.0 109.501 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.16 -48.09 83.19 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.174 -0.954 . . . . 0.0 109.149 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.19 -49.34 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.113 -0.992 . . . . 0.0 109.254 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -64.13 -40.47 96.25 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.372 -0.83 . . . . 0.0 109.956 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.24 -50.0 75.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.018 -1.051 . . . . 0.0 109.413 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.59 -40.97 96.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.336 -0.853 . . . . 0.0 109.607 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -64.56 -40.09 94.94 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.276 -0.89 . . . . 0.0 109.944 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -68.02 -40.59 82.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.022 -1.049 . . . . 0.0 109.606 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -69.72 -40.36 76.3 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.206 -0.934 . . . . 0.0 108.906 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . 0.581 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 64.9 t80 -59.76 -49.28 78.35 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.624 -0.672 . . . . 0.0 109.409 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.72 -40.31 91.85 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.167 -0.958 . . . . 0.0 109.69 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.04 -42.89 95.43 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.285 -0.885 . . . . 0.0 110.062 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.6 mt-30 -61.18 -40.21 93.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.048 -1.032 . . . . 0.0 110.067 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . 0.581 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.2 mmtm -60.03 -39.3 85.42 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.014 -1.054 . . . . 0.0 109.398 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 98.9 mt -58.21 -46.94 84.95 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -124.12 60.48 1.13 Allowed 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.465 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.8 p . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.093 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . 0.553 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 48.5 mt-30 -69.78 144.28 52.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.262 -0.899 . . . . 0.0 109.626 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -89.37 60.61 5.32 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 0.0 108.772 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -63.39 -39.97 95.95 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.323 -0.861 . . . . 0.0 109.006 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.549 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.8 t -61.68 -45.01 95.81 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.557 -0.714 . . . . 0.0 109.829 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.549 ' N ' HG23 ' C' ' 5' ' ' THR . 55.5 tp -60.46 -41.74 94.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.116 -0.99 . . . . 0.0 109.102 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 59.6 mt -61.17 -39.85 91.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.45 -0.781 . . . . 0.0 109.827 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.02 87.41 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.17 -47.8 50.68 Favored Glycine 0 N--CA 1.486 2.026 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.14 -47.52 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.268 -1.137 . . . . 0.0 109.604 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.12 -41.26 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.265 -0.897 . . . . 0.0 108.974 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -60.11 -40.12 88.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.621 -0.674 . . . . 0.0 109.436 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -60.16 -41.53 93.02 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.354 -0.841 . . . . 0.0 109.419 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -61.24 -40.91 95.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.081 -1.012 . . . . 0.0 109.182 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -60.25 -45.26 93.87 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.38 -0.825 . . . . 0.0 108.857 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . 0.452 HE22 ' N ' ' A' ' 107' ' ' ALA . 28.2 mt-30 -61.53 -42.56 99.0 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.342 -0.849 . . . . 0.0 109.491 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.56 -42.01 99.27 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.143 -0.973 . . . . 0.0 109.463 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.2 -43.27 96.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.129 -0.982 . . . . 0.0 109.097 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.11 -47.91 83.93 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.394 -0.816 . . . . 0.0 109.752 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -60.16 -40.53 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.254 -0.903 . . . . 0.0 109.754 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.27 -42.09 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.029 -1.044 . . . . 0.0 108.767 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -62.18 -40.45 96.08 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.514 ' NH1' HD22 ' A' ' 99' ' ' ASN . 30.2 mmt180 -60.79 -40.34 92.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.59 -40.33 91.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.008 -1.057 . . . . 0.0 109.757 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.04 -48.89 79.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.192 -0.942 . . . . 0.0 108.985 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.41 -43.34 96.81 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.203 -0.936 . . . . 0.0 109.516 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.0 tp -62.54 -40.95 98.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.162 -0.961 . . . . 0.0 109.181 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.16 -40.23 89.19 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.465 -0.772 . . . . 0.0 109.231 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -60.35 -41.83 94.49 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.276 -0.89 . . . . 0.0 109.714 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.547 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 79.7 mt -63.9 -40.57 96.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.139 -0.975 . . . . 0.0 109.215 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 59.2 p -64.05 -40.02 95.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.139 -0.975 . . . . 0.0 109.66 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.41 -40.09 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.444 -0.785 . . . . 0.0 109.643 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -60.09 -41.87 93.42 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.339 -0.85 . . . . 0.0 109.807 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.26 -44.69 97.22 Favored Glycine 0 N--CA 1.487 2.053 0 C-N-CA 119.351 -1.405 . . . . 0.0 109.681 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 85.5 m -60.02 -49.94 75.69 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.153 -1.204 . . . . 0.0 109.269 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -63.07 -39.82 95.84 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.213 -0.93 . . . . 0.0 109.054 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.567 HD21 ' NH2' ' C' ' 41' ' ' ARG . 60.4 t-20 -60.12 -40.57 90.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.279 -0.888 . . . . 0.0 109.641 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.36 -39.9 88.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.07 -1.019 . . . . 0.0 108.701 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.06 -40.76 90.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 109.428 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 44.7 p -60.91 -41.33 95.91 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.897 -1.127 . . . . 0.0 108.857 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.567 ' NH2' HD21 ' C' ' 37' ' ' ASN . 28.9 mtt-85 -65.56 -39.99 92.32 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.54 -42.12 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.53 -0.731 . . . . 0.0 109.487 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 48.2 p -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.876 -1.14 . . . . 0.0 109.059 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.49 97.39 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.75 -39.04 83.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.712 -0.617 . . . . 0.0 109.781 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.91 -41.18 91.12 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.35 -45.91 91.8 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.163 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.45 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 45.8 m-85 -64.27 -40.02 95.11 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.554 -0.716 . . . . 0.0 110.229 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . 0.494 HD23 ' NE2' ' C' ' 52' ' ' GLN . 83.6 mt -60.04 -41.43 92.23 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.655 -1.278 . . . . 0.0 109.166 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -60.23 -39.98 88.6 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.751 -1.218 . . . . 0.0 109.206 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.97 -37.74 80.49 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.437 -0.79 . . . . 0.0 109.168 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.519 ' OE1' ' ND2' ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.71 -39.43 84.6 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.035 -1.041 . . . . 0.0 108.504 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' C' ' 52' ' ' GLN . . . -60.02 -35.67 75.58 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.176 -0.952 . . . . 0.0 108.998 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.15 -39.92 83.94 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.357 -0.84 . . . . 0.0 108.957 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . 0.447 HD13 HD22 ' A' ' 56' ' ' ASN . 85.8 mt -79.53 113.7 17.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.871 -1.143 . . . . 0.0 108.627 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' C' ' 53' ' ' ALA . 33.7 m120 -133.15 -68.69 0.58 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.465 -0.772 . . . . 0.0 109.217 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.64 88.01 1.6 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -108.52 146.99 32.37 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.489 -0.757 . . . . 0.0 110.472 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.86 0.69 14.71 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . 0.479 ' HA ' ' HB1' ' A' ' 60' ' ' ALA . . . -72.27 25.51 0.05 Allowed 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.526 -0.985 . . . . 0.0 109.622 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 61' ' ' ALA . . . . . 0.491 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.62 115.64 3.11 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.037 -1.04 . . . . 0.0 109.969 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -112.85 12.54 19.5 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.658 -0.651 . . . . 0.0 110.503 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . 0.62 HH21 HH21 ' A' ' 63' ' ' ARG . 5.8 ptp180 -133.17 24.98 4.21 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -142.04 151.89 42.85 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 t -105.52 59.15 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.133 -0.979 . . . . 0.0 108.726 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.27 157.58 40.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.341 -0.849 . . . . 0.0 110.079 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -129.4 133.26 47.28 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -96.61 119.4 35.02 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.218 -0.926 . . . . 0.0 110.636 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . 0.498 ' O ' HG23 ' C' ' 69' ' ' THR . 6.3 t -117.01 120.46 38.45 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.409 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 87.5 t -126.04 90.83 49.41 Favored Pre-proline 0 N--CA 1.503 2.203 0 O-C-N 121.244 -0.91 . . . . 0.0 109.489 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -85.72 62.59 5.45 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.569 2.18 . . . . 0.0 112.177 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.518 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 52.7 t90 -69.98 130.05 90.28 Favored Pre-proline 0 N--CA 1.492 1.662 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.518 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 82.6 Cg_exo -40.55 146.88 0.27 Allowed 'Trans proline' 0 N--CA 1.489 1.213 0 C-N-CA 120.976 1.118 . . . . 0.0 111.213 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.519 ' ND2' ' OE1' ' C' ' 52' ' ' GLN . 10.7 t-20 -132.9 10.07 4.22 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.307 -0.871 . . . . 0.0 109.135 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.38 121.54 8.92 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 94.3 p -82.09 105.19 12.99 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.814 -1.178 . . . . 0.0 108.724 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 25.3 mt -82.51 137.48 34.61 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.446 ' OG1' ' CB ' ' C' ' 82' ' ' ASN . 0.0 OUTLIER -88.43 113.13 54.04 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.315 -0.866 . . . . 0.0 109.522 179.274 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -95.11 -47.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.005 0 C-N-CA 121.618 1.545 . . . . 0.0 113.967 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -122.78 -46.72 2.1 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.309 -0.869 . . . . 0.0 112.911 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.697 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 8.0 p90 -60.35 -56.62 19.21 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.314 -1.491 . . . . 0.0 112.276 -176.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.697 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.5 OUTLIER -80.19 -36.47 34.89 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.406 -1.434 . . . . 0.0 109.507 -179.18 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.01 -49.61 77.0 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.949 -1.095 . . . . 0.0 109.644 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.98 -44.39 97.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.051 -1.031 . . . . 0.0 109.669 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.555 HG23 ' O ' ' C' ' 81' ' ' TRP . 67.8 p -63.65 -40.05 95.89 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.255 -0.978 . . . . 0.0 109.925 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . 0.404 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 47.4 t-105 -61.86 -40.08 94.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.117 -0.989 . . . . 0.0 109.57 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.16 -42.68 95.43 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.81 -1.181 . . . . 0.0 108.783 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.02 -42.92 95.37 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.545 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 71.7 t90 -60.11 -49.83 76.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.565 -0.709 . . . . 0.0 109.86 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.41 -40.11 95.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.146 -0.971 . . . . 0.0 109.536 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -65.18 -40.03 93.69 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.219 -0.926 . . . . 0.0 110.217 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -59.96 -42.05 93.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.8 -1.188 . . . . 0.0 109.093 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.64 -40.5 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.983 -1.073 . . . . 0.0 109.522 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.41 -41.39 93.83 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.108 -0.995 . . . . 0.0 110.663 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -70.04 -40.05 75.38 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.024 -1.048 . . . . 0.0 109.571 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 98.0 mt -65.57 -40.84 93.24 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.177 -0.952 . . . . 0.0 109.478 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.1 -48.96 79.55 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.087 -1.008 . . . . 0.0 109.194 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.34 -43.11 96.76 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.268 -0.895 . . . . 0.0 109.395 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . 0.61 HD22 ' NH1' ' B' ' 23' ' ' ARG . 98.6 m-20 -63.17 -40.82 98.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.328 -0.858 . . . . 0.0 109.828 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 88.8 mt -65.88 -42.09 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 120.943 -1.098 . . . . 0.0 109.228 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 24.9 p -61.27 -40.8 95.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.042 -1.036 . . . . 0.0 109.293 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.16 -46.47 90.39 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.359 -0.838 . . . . 0.0 109.669 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.41 -44.02 97.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.277 -0.889 . . . . 0.0 109.819 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.55 -40.12 95.79 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.155 -0.966 . . . . 0.0 109.021 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.57 -42.02 95.78 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.362 -0.836 . . . . 0.0 109.663 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.25 -40.04 78.09 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.3 -0.875 . . . . 0.0 109.183 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . 0.476 ' N ' HE22 ' B' ' 16' ' ' GLN . . . -61.72 -43.74 98.27 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.262 -0.899 . . . . 0.0 109.743 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.22 -48.1 83.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.195 -0.941 . . . . 0.0 108.97 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.15 -50.04 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.255 -0.903 . . . . 0.0 109.069 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.39 -40.84 98.32 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.278 -0.889 . . . . 0.0 109.939 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.08 -49.97 75.54 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.015 -1.053 . . . . 0.0 109.202 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -61.62 -41.04 96.92 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.282 -0.886 . . . . 0.0 109.726 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -64.63 -40.05 94.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.15 -0.969 . . . . 0.0 109.787 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -68.04 -40.63 82.82 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.027 -1.045 . . . . 0.0 109.387 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.48 -40.18 77.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.056 -1.028 . . . . 0.0 108.877 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . 0.569 ' CZ ' ' NZ ' ' C' ' 120' ' ' LYS . 65.5 t80 -59.98 -48.63 80.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.622 -0.674 . . . . 0.0 109.61 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.27 -40.26 93.42 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.136 -0.978 . . . . 0.0 109.512 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.94 -43.44 94.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.851 . . . . 0.0 109.995 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.6 mt-30 -60.89 -40.15 91.98 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.045 -1.034 . . . . 0.0 110.243 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . 0.569 ' NZ ' ' CZ ' ' C' ' 116' ' ' TYR . 39.5 mmtm -60.0 -38.85 83.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.089 -1.007 . . . . 0.0 109.657 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 98.5 mt -58.5 -46.98 85.61 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -124.41 60.65 1.15 Allowed 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.473 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.9 p . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.088 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.288 0.566 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.29 144.38 51.76 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.309 -0.869 . . . . 0.0 109.32 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -90.41 59.6 4.39 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.113 -0.992 . . . . 0.0 109.624 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -63.56 -39.95 95.72 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.9 t -59.99 -42.75 94.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.3 -0.875 . . . . 0.0 109.706 -179.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.497 ' N ' HG23 ' A' ' 5' ' ' THR . 64.6 tp -60.02 -41.55 92.43 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.7 -38.49 91.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.695 -0.628 . . . . 0.0 109.468 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.02 87.4 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.12 -0.988 . . . . 0.0 108.677 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.8 -45.22 59.08 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.8 mt -60.0 -48.35 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.308 -1.113 . . . . 0.0 109.876 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.0 -43.89 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.09 -1.006 . . . . 0.0 109.492 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.19 -39.98 96.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.335 -0.853 . . . . 0.0 109.993 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -59.96 -40.7 89.94 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.162 -0.961 . . . . 0.0 109.111 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -61.84 -40.29 94.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.05 -1.031 . . . . 0.0 109.405 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -59.89 -46.11 90.39 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.367 -0.833 . . . . 0.0 109.402 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -59.94 -43.74 94.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.378 -0.826 . . . . 0.0 109.453 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.8 mt -60.88 -42.19 97.44 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.334 -0.853 . . . . 0.0 109.085 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.463 HD11 HD23 ' A' ' 104' ' ' LEU . 47.1 tp -60.86 -43.74 97.97 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.331 -0.856 . . . . 0.0 108.818 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.404 ' OD1' ' NE ' ' A' ' 23' ' ' ARG . 7.4 t0 -60.03 -47.43 85.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.194 -0.942 . . . . 0.0 109.825 -179.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.7 -41.87 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.042 -1.036 . . . . 0.0 109.046 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.06 -46.07 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.435 -0.791 . . . . 0.0 109.153 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.92 -41.75 92.43 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' A' ' 23' ' ' ARG . 53.9 mtt-85 -60.55 -39.97 89.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.297 -0.877 . . . . 0.0 109.58 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.68 -39.99 90.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.154 -0.966 . . . . 0.0 109.401 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -60.06 -46.84 88.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.126 -0.984 . . . . 0.0 109.06 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.57 -40.1 88.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.191 -0.943 . . . . 0.0 109.269 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.3 -40.56 97.68 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.206 -0.934 . . . . 0.0 109.462 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.41 HD13 HD23 ' C' ' 27' ' ' LEU . 28.6 mt -60.27 -40.28 89.79 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.328 -0.857 . . . . 0.0 109.694 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.91 -40.11 91.91 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.126 -0.984 . . . . 0.0 109.329 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.57 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 96.5 mt -61.92 -41.02 97.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.164 -0.96 . . . . 0.0 109.763 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.4 p -66.67 -40.05 88.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.092 -1.005 . . . . 0.0 109.676 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.59 -40.04 83.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.433 -0.792 . . . . 0.0 109.177 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -59.96 -43.91 94.76 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.204 -0.935 . . . . 0.0 109.724 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -47.75 89.49 Favored Glycine 0 N--CA 1.486 2.03 0 C-N-CA 119.273 -1.441 . . . . 0.0 109.829 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.04 -49.98 75.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.992 -1.299 . . . . 0.0 110.074 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.28 -40.02 94.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.111 -0.993 . . . . 0.0 109.752 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.663 HD21 HH21 ' A' ' 41' ' ' ARG . 54.6 t-20 -60.08 -40.58 90.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.291 -0.881 . . . . 0.0 109.784 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.29 -40.0 94.83 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.122 -0.986 . . . . 0.0 109.967 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.05 -41.68 92.86 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.042 -1.036 . . . . 0.0 109.394 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.6 p -60.22 -40.04 88.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.957 -1.089 . . . . 0.0 108.858 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.663 HH21 HD21 ' A' ' 37' ' ' ASN . 34.0 mtt-85 -67.21 -39.98 86.36 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.03 -42.58 90.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.341 -0.849 . . . . 0.0 109.189 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.8 p -60.01 -40.13 88.23 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.089 -1.007 . . . . 0.0 109.866 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.51 95.97 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.098 -1.001 . . . . 0.0 108.486 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.5 mt -60.85 -39.44 81.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.696 -0.627 . . . . 0.0 109.683 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -60.06 -40.53 89.78 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.174 -0.954 . . . . 0.0 109.038 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -60.13 -46.48 89.5 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.486 -0.759 . . . . 0.0 109.675 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 61.5 m-85 -65.62 -38.18 88.71 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.19 -0.944 . . . . 0.0 109.816 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.92 -40.04 87.51 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.976 -1.078 . . . . 0.0 108.782 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -59.98 -40.02 87.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.85 -1.156 . . . . 0.0 107.98 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -59.9 -40.07 87.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.392 -0.817 . . . . 0.0 108.844 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.644 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.87 -40.06 87.39 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.086 -1.009 . . . . 0.0 109.015 179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.644 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.01 -33.93 72.67 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.074 -1.016 . . . . 0.0 108.769 179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.438 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 58.3 tt0 -59.13 -40.06 84.29 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.4 mt -77.19 116.83 18.15 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.582 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 38.2 m-80 -131.67 -70.05 0.59 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.249 -0.907 . . . . 0.0 109.925 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.12 87.67 1.62 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 0.0 108.841 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.432 ' CD1' ' N ' ' A' ' 58' ' ' TRP . 35.4 m95 -101.29 125.68 47.95 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.682 -0.636 . . . . 0.0 109.653 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 112.72 -5.16 26.06 Favored Glycine 0 N--CA 1.501 2.985 0 O-C-N 121.215 -0.928 . . . . 0.0 112.491 177.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.56 25.6 0.25 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.061 -1.846 . . . . 0.0 108.88 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.533 ' O ' ' CE1' ' B' ' 62' ' ' PHE . . . -93.46 101.58 13.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.499 -0.751 . . . . 0.0 109.751 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.534 ' CE1' ' O ' ' C' ' 61' ' ' ALA . 13.3 m-85 -106.85 7.18 30.02 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.912 -1.118 . . . . 0.0 109.235 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -158.87 24.95 0.22 Allowed 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -143.28 151.2 40.27 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.446 -0.784 . . . . 0.0 109.954 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.6 t -110.8 57.6 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 177.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.39 159.85 44.05 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.747 -0.596 . . . . 0.0 109.699 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -120.81 133.79 55.31 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.64 -0.662 . . . . 0.0 109.223 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 68' ' ' THR . 8.2 t -94.86 119.8 34.02 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.222 -0.924 . . . . 0.0 110.117 -178.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.544 ' O ' HG23 ' A' ' 69' ' ' THR . 9.4 t -112.37 121.47 44.95 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.582 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 47.0 t -119.43 97.51 50.19 Favored Pre-proline 0 N--CA 1.499 1.983 0 O-C-N 121.441 -0.787 . . . . 0.0 109.45 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -81.35 66.73 8.65 Favored 'Trans proline' 0 N--CA 1.49 1.271 0 C-N-CA 122.157 1.905 . . . . 0.0 112.184 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.456 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 19.6 t90 -69.2 129.44 91.95 Favored Pre-proline 0 N--CA 1.49 1.547 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -38.04 148.9 0.08 OUTLIER 'Trans proline' 0 N--CA 1.488 1.204 0 C-N-CA 121.507 1.471 . . . . 0.0 111.543 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.556 HD22 ' NE2' ' A' ' 52' ' ' GLN . 17.2 t-20 -128.28 -59.16 1.18 Allowed 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.06 125.19 34.44 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.8 p -80.24 109.98 15.23 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 118.854 -1.139 . . . . 0.0 108.229 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.3 mt -79.7 137.12 36.96 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.81 0.814 . . . . 0.0 110.075 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 78' ' ' THR . 5.2 t -87.68 114.75 60.39 Favored Pre-proline 0 N--CA 1.491 1.597 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -91.27 -47.42 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.133 0 C-N-CA 121.699 1.599 . . . . 0.0 114.058 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -121.61 -44.34 2.34 Favored 'General case' 0 N--CA 1.504 2.233 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -177.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.3 p90 -59.98 -50.13 74.96 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.321 -1.487 . . . . 0.0 112.418 -175.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.623 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.9 t30 -72.45 -43.44 63.75 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.151 -1.593 . . . . 0.0 110.368 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -60.0 -49.74 76.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.007 -1.058 . . . . 0.0 110.841 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.01 -42.21 94.65 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.697 -1.252 . . . . 0.0 109.746 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 81' ' ' TRP . 74.6 p -70.05 -40.0 75.38 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.23 -0.919 . . . . 0.0 109.585 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.2 t-105 -67.94 -39.91 83.39 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.292 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -60.07 -40.39 89.36 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.664 -1.273 . . . . 0.0 108.238 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.02 -40.08 94.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.986 -1.071 . . . . 0.0 108.524 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.549 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 74.6 t90 -59.91 -49.84 76.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.513 -0.742 . . . . 0.0 110.109 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -64.56 -40.91 96.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.155 -0.966 . . . . 0.0 109.81 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -61.94 -42.18 98.82 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.967 -1.083 . . . . 0.0 110.377 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -60.05 -43.22 95.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.772 -1.205 . . . . 0.0 109.525 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.56 -42.3 91.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.267 -0.896 . . . . 0.0 109.42 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.2 -40.06 88.72 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.3 -0.875 . . . . 0.0 111.118 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -69.07 -40.0 78.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.791 -1.193 . . . . 0.0 109.39 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.49 -39.96 85.21 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.203 -0.936 . . . . 0.0 109.889 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 101' ' ' THR . 96.8 mt-10 -67.22 -40.03 86.35 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.789 -1.195 . . . . 0.0 109.851 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -68.15 -39.92 82.54 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.186 -0.946 . . . . 0.0 109.575 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -68.05 -40.04 82.88 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.37 -0.831 . . . . 0.0 109.741 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.16 -40.87 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.139 -0.976 . . . . 0.0 109.667 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 97' ' ' GLU . 41.1 p -64.08 -40.54 96.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.038 -1.039 . . . . 0.0 109.361 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -49.15 78.7 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.301 -0.874 . . . . 0.0 109.735 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.09 -41.66 99.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.102 -0.999 . . . . 0.0 109.823 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.463 HD23 HD11 ' A' ' 18' ' ' LEU . 84.7 mt -61.38 -41.28 96.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.091 -1.006 . . . . 0.0 109.618 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -64.59 -42.94 95.25 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.104 -0.998 . . . . 0.0 109.193 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.14 -40.46 96.22 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.41 -0.807 . . . . 0.0 109.755 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.24 95.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.32 -0.862 . . . . 0.0 109.687 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.419 HE21 ' CD2' ' A' ' 18' ' ' LEU . 38.5 mm-40 -59.92 -49.96 75.64 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.188 -0.945 . . . . 0.0 109.637 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.12 -47.12 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.307 -0.871 . . . . 0.0 109.245 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -69.46 -40.1 77.34 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.494 -0.754 . . . . 0.0 110.578 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -59.97 -45.95 91.03 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.952 -1.092 . . . . 0.0 109.679 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.87 -39.99 95.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.104 -0.997 . . . . 0.0 109.506 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -65.65 -40.01 92.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.239 -0.913 . . . . 0.0 109.83 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -60.06 -41.42 92.32 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.008 -1.057 . . . . 0.0 109.649 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' A' ' 115' ' ' MET . 12.4 tmm? -70.03 -40.56 75.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.972 -1.08 . . . . 0.0 109.137 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -62.02 -44.45 96.68 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.392 -0.817 . . . . 0.0 109.184 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.36 -39.96 89.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.369 -0.832 . . . . 0.0 109.202 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.01 -40.92 90.92 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.38 -39.86 95.67 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.374 -0.829 . . . . 0.0 109.626 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -59.51 -34.4 72.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.93 . . . . 0.0 109.58 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 121' ' ' LEU . 87.6 mt -57.44 -48.87 78.02 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.077 -1.049 . . . . 0.0 108.5 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -143.71 65.83 1.3 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.145 -0.972 . . . . 0.0 109.88 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.037 179.357 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.43 144.52 51.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.335 -0.853 . . . . 0.0 109.309 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -90.46 59.57 4.36 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.235 -0.916 . . . . 0.0 109.649 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -63.7 -39.94 95.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.157 -0.964 . . . . 0.0 108.704 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.514 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.9 t -60.0 -42.81 95.06 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.36 -0.838 . . . . 0.0 109.777 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.514 ' N ' HG23 ' B' ' 5' ' ' THR . 64.0 tp -60.02 -41.47 92.25 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.77 -38.45 91.02 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.96 87.85 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.155 -0.965 . . . . 0.0 108.594 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.78 -45.23 59.13 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 93.3 mt -59.97 -48.38 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.32 -1.106 . . . . 0.0 109.788 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.95 -44.11 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.03 -1.044 . . . . 0.0 109.355 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -62.97 -39.98 96.32 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.299 -0.876 . . . . 0.0 110.028 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -60.02 -40.67 90.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.128 -0.983 . . . . 0.0 109.146 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -61.89 -40.31 94.96 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.134 -0.979 . . . . 0.0 109.373 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -59.96 -45.94 91.02 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.266 -0.896 . . . . 0.0 109.444 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.02 -43.77 95.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.42 -0.8 . . . . 0.0 109.516 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.71 -42.62 97.61 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.187 -0.946 . . . . 0.0 109.018 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.462 HD11 HD23 ' B' ' 104' ' ' LEU . 46.1 tp -60.49 -43.64 96.81 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.417 -0.802 . . . . 0.0 108.952 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -60.02 -47.42 85.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.264 -0.898 . . . . 0.0 109.873 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.01 -41.76 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.999 -1.063 . . . . 0.0 109.021 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -46.01 94.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.428 -0.795 . . . . 0.0 109.091 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.06 -41.76 93.03 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.422 HH11 ' HG2' ' B' ' 23' ' ' ARG . 53.7 mtt-85 -60.49 -39.98 89.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -0.85 . . . . 0.0 109.545 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.67 -40.0 90.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.185 -0.947 . . . . 0.0 109.444 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -59.95 -46.63 88.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.108 -0.995 . . . . 0.0 109.233 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.81 -39.99 87.92 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.142 -0.974 . . . . 0.0 109.342 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.43 -40.19 96.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.311 -0.868 . . . . 0.0 109.474 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 mt -60.56 -40.5 91.83 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.402 -0.811 . . . . 0.0 109.616 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.74 -40.18 91.43 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.094 -1.004 . . . . 0.0 109.354 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.555 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 97.2 mt -61.88 -40.99 97.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.227 -0.921 . . . . 0.0 109.712 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.8 p -66.84 -40.06 87.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.148 -0.97 . . . . 0.0 109.679 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -60.5 -40.1 83.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.309 -0.869 . . . . 0.0 109.076 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -59.98 -43.95 94.8 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.243 -0.91 . . . . 0.0 109.724 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -47.51 90.68 Favored Glycine 0 N--CA 1.488 2.137 0 C-N-CA 119.364 -1.398 . . . . 0.0 109.832 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.17 -50.02 75.32 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.021 -1.282 . . . . 0.0 110.158 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.27 -39.98 94.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.015 -1.053 . . . . 0.0 109.689 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.644 HD21 HH21 ' B' ' 41' ' ' ARG . 54.5 t-20 -60.07 -40.87 91.0 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.272 -0.892 . . . . 0.0 109.685 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 85.7 mt -62.17 -39.86 94.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.087 -1.008 . . . . 0.0 110.0 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.04 -41.59 92.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.057 -1.027 . . . . 0.0 109.46 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 69.3 p -60.2 -40.16 89.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.977 -1.077 . . . . 0.0 108.859 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.644 HH21 HD21 ' B' ' 37' ' ' ASN . 34.4 mtt-85 -67.1 -40.1 86.84 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -42.67 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.3 -0.875 . . . . 0.0 109.131 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 70.6 p -60.05 -40.29 88.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.068 -1.02 . . . . 0.0 109.763 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.27 -42.29 95.07 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.114 -0.991 . . . . 0.0 108.575 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.05 -39.39 82.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.774 -0.579 . . . . 0.0 109.67 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.98 -40.71 90.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.138 -0.976 . . . . 0.0 108.988 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.06 -46.9 88.02 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.414 -0.803 . . . . 0.0 109.602 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.505 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 61.4 m-85 -65.12 -38.33 90.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.261 -0.9 . . . . 0.0 109.887 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 49.1 mt -59.96 -40.02 87.6 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.846 -1.159 . . . . 0.0 108.842 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -60.06 -39.93 87.72 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.654 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -59.96 -40.02 87.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.153 -0.967 . . . . 0.0 108.941 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.654 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -60.04 -33.93 72.69 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.99 -1.069 . . . . 0.0 108.823 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.435 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 58.4 tt0 -59.14 -40.04 84.25 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 78.0 mt -77.18 116.83 18.14 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.577 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 37.2 m-80 -131.71 -69.99 0.59 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.236 -0.915 . . . . 0.0 109.888 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.22 87.89 1.62 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.259 -0.9 . . . . 0.0 108.953 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' TRP . . . . . 0.429 ' CD1' ' N ' ' B' ' 58' ' ' TRP . 35.5 m95 -101.67 125.75 48.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.776 -0.578 . . . . 0.0 109.608 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 112.63 -5.04 26.2 Favored Glycine 0 N--CA 1.501 2.981 0 O-C-N 121.307 -0.871 . . . . 0.0 112.454 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.36 25.32 0.24 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.049 -1.853 . . . . 0.0 108.989 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.545 ' O ' ' CE1' ' C' ' 62' ' ' PHE . . . -93.26 101.76 14.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.506 -0.746 . . . . 0.0 109.819 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 13.3 m-85 -107.06 7.28 29.65 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.889 -1.132 . . . . 0.0 109.238 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -158.89 24.84 0.21 Allowed 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -143.11 151.53 40.83 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.413 -0.805 . . . . 0.0 109.927 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.6 t -110.98 57.73 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 177.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.48 160.02 43.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.725 -0.609 . . . . 0.0 109.579 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -121.02 133.79 55.27 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.537 HG23 ' O ' ' B' ' 68' ' ' THR . 8.1 t -94.81 119.75 33.91 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.201 -0.937 . . . . 0.0 110.015 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.545 ' O ' HG23 ' B' ' 69' ' ' THR . 9.6 t -112.33 121.67 45.54 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.577 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 47.1 t -119.44 97.65 50.17 Favored Pre-proline 0 N--CA 1.501 2.083 0 O-C-N 121.466 -0.771 . . . . 0.0 109.493 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -81.58 66.84 8.53 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 122.126 1.884 . . . . 0.0 112.054 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.445 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 19.7 t90 -69.3 129.49 91.78 Favored Pre-proline 0 N--CA 1.49 1.571 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' B' ' 72' ' ' TRP . 68.1 Cg_exo -38.11 149.01 0.08 OUTLIER 'Trans proline' 0 N--CA 1.487 1.138 0 C-N-CA 121.469 1.446 . . . . 0.0 111.562 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.569 HD22 ' NE2' ' B' ' 52' ' ' GLN . 17.3 t-20 -128.36 -59.4 1.16 Allowed 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.7 125.47 34.42 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 17.8 p -80.4 110.02 15.46 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.848 -1.157 . . . . 0.0 108.056 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.6 mt -79.72 137.21 36.97 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-O 121.797 0.808 . . . . 0.0 109.937 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.538 ' O ' HG23 ' B' ' 78' ' ' THR . 5.2 t -87.51 115.02 61.48 Favored Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -91.25 -47.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.111 0 C-N-CA 121.755 1.637 . . . . 0.0 114.08 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -121.62 -44.18 2.35 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.2 p90 -59.94 -50.05 75.28 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.21 -1.556 . . . . 0.0 112.503 -175.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.623 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.7 t30 -72.49 -43.53 63.51 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.156 -1.59 . . . . 0.0 110.349 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -59.92 -49.79 76.32 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.08 -1.012 . . . . 0.0 110.836 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.01 -42.01 94.85 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.729 -1.232 . . . . 0.0 109.781 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.441 HG23 ' O ' ' B' ' 81' ' ' TRP . 73.7 p -70.2 -40.03 74.82 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.29 -0.881 . . . . 0.0 109.556 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -67.83 -39.98 83.8 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 119.065 -1.054 . . . . 0.0 109.314 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -59.95 -40.39 88.82 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.617 -1.302 . . . . 0.0 108.343 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -65.18 -40.09 93.78 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.982 -1.074 . . . . 0.0 108.439 178.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.57 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 74.4 t90 -59.9 -50.06 75.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.512 -0.743 . . . . 0.0 110.043 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.35 -40.73 96.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.026 -1.046 . . . . 0.0 109.863 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 54.2 mtt-85 -62.04 -42.06 98.77 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.963 -1.086 . . . . 0.0 110.352 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -60.08 -42.88 95.56 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.854 -1.154 . . . . 0.0 109.542 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.14 -41.85 90.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.344 -0.848 . . . . 0.0 109.361 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.5 -40.16 90.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.301 -0.874 . . . . 0.0 110.987 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -68.93 -39.95 79.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.726 -1.234 . . . . 0.0 109.417 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.54 -39.96 84.99 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.149 -0.97 . . . . 0.0 109.99 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . 0.426 ' O ' HG23 ' B' ' 101' ' ' THR . 96.8 mt-10 -67.23 -39.99 86.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.891 -1.131 . . . . 0.0 109.774 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.2 -39.94 82.29 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.226 -0.921 . . . . 0.0 109.554 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -68.21 -39.91 82.25 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.335 -0.853 . . . . 0.0 109.792 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 85.6 mt -66.16 -40.93 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.063 -1.023 . . . . 0.0 109.635 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . 0.426 HG23 ' O ' ' B' ' 97' ' ' GLU . 40.7 p -63.85 -40.78 97.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.914 -1.116 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.35 -49.17 78.65 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.354 -0.841 . . . . 0.0 109.829 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.26 -41.51 99.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.127 -0.983 . . . . 0.0 109.814 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . 0.462 HD23 HD11 ' B' ' 18' ' ' LEU . 84.4 mt -61.48 -41.03 96.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.037 -1.039 . . . . 0.0 109.571 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -64.93 -42.48 94.65 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.146 -0.971 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.61 -40.36 95.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.404 -0.81 . . . . 0.0 109.742 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.4 96.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.309 -0.87 . . . . 0.0 109.59 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.427 HE21 ' CD2' ' B' ' 18' ' ' LEU . 37.9 mm-40 -59.94 -49.95 75.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.147 -0.971 . . . . 0.0 109.654 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.05 -47.21 92.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 O-C-N 121.323 -0.861 . . . . 0.0 109.248 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -69.42 -39.98 77.54 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.558 -0.714 . . . . 0.0 110.597 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -59.98 -46.02 90.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.922 -1.111 . . . . 0.0 109.645 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.83 -40.1 95.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 109.453 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -65.66 -40.02 92.0 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.105 -0.997 . . . . 0.0 109.776 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -60.01 -41.35 91.94 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.041 -1.037 . . . . 0.0 109.7 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' B' ' 115' ' ' MET . 12.4 tmm? -70.12 -40.79 74.64 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.989 -1.069 . . . . 0.0 109.047 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -61.77 -44.49 96.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.308 -0.87 . . . . 0.0 109.293 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.27 -39.93 88.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.348 -0.845 . . . . 0.0 109.152 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 13.5 tp -60.05 -40.89 90.97 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.7 mt-30 -63.41 -39.86 95.63 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.459 -0.776 . . . . 0.0 109.642 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -59.46 -34.32 72.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 0.0 109.589 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.51 -48.95 77.87 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.925 -1.109 . . . . 0.0 108.438 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -143.64 65.79 1.31 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.189 -0.944 . . . . 0.0 109.912 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.403 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.7 t . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.12 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.43 144.43 51.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.269 -0.894 . . . . 0.0 109.282 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -90.33 59.42 4.37 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.258 -0.901 . . . . 0.0 109.646 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -63.54 -39.89 95.58 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.236 -0.915 . . . . 0.0 108.736 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.5 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.9 t -60.09 -42.77 95.37 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.337 -0.852 . . . . 0.0 109.824 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.5 ' N ' HG23 ' C' ' 5' ' ' THR . 64.3 tp -59.99 -41.78 92.77 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.44 -38.58 91.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.767 -0.583 . . . . 0.0 109.495 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.081 -1.012 . . . . 0.0 108.6 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.71 -45.28 59.34 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.05 -48.41 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -1.112 . . . . 0.0 109.86 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.99 -43.72 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.001 -1.062 . . . . 0.0 109.428 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.23 -40.05 96.36 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.242 -0.911 . . . . 0.0 109.839 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -59.98 -40.73 90.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 0.0 109.103 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -61.83 -40.29 94.76 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.005 -1.059 . . . . 0.0 109.384 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -60.0 -45.93 91.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.234 -0.916 . . . . 0.0 109.392 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -60.03 -43.36 95.37 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.253 -0.905 . . . . 0.0 109.644 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.05 -42.3 98.22 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.304 -0.872 . . . . 0.0 109.101 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.459 HD11 HD23 ' C' ' 104' ' ' LEU . 46.3 tp -60.81 -43.54 98.07 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.355 -0.841 . . . . 0.0 108.953 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -59.98 -47.77 84.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.235 -0.915 . . . . 0.0 109.718 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.46 -41.96 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.032 -1.042 . . . . 0.0 109.123 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.97 -46.02 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.44 -0.787 . . . . 0.0 109.059 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.05 -41.65 92.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.462 -0.774 . . . . 0.0 109.104 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.431 HH11 ' HG2' ' C' ' 23' ' ' ARG . 53.6 mtt-85 -60.43 -40.05 89.65 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.285 -0.884 . . . . 0.0 109.512 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.82 -39.9 90.71 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.112 -0.993 . . . . 0.0 109.441 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -60.15 -46.74 88.63 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.17 -0.956 . . . . 0.0 109.101 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.59 -40.07 88.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.206 -0.934 . . . . 0.0 109.416 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.41 HD23 HD13 ' A' ' 28' ' ' LEU . 29.8 tp -63.45 -40.17 96.43 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.356 -0.84 . . . . 0.0 109.455 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.39 -40.57 91.37 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.412 -0.805 . . . . 0.0 109.586 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.84 -39.98 91.11 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.122 -0.986 . . . . 0.0 109.398 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.549 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 97.3 mt -62.02 -40.76 96.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.752 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.0 p -67.0 -40.01 87.25 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.103 -0.998 . . . . 0.0 109.643 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 56.7 t -60.54 -40.03 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.334 -0.854 . . . . 0.0 109.181 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -59.97 -43.91 94.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.265 -0.897 . . . . 0.0 109.753 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.68 89.86 Favored Glycine 0 N--CA 1.487 2.052 0 C-N-CA 119.343 -1.408 . . . . 0.0 109.818 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -50.01 75.43 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.995 -1.297 . . . . 0.0 110.08 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.32 -39.97 94.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.073 -1.017 . . . . 0.0 109.779 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.662 HD21 HH21 ' C' ' 41' ' ' ARG . 53.6 t-20 -60.01 -40.84 90.67 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.296 -0.877 . . . . 0.0 109.69 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.09 -40.02 94.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.049 -1.032 . . . . 0.0 109.955 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -59.99 -41.79 92.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.057 -1.027 . . . . 0.0 109.48 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 71.8 p -60.1 -40.03 88.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.01 -1.056 . . . . 0.0 108.837 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.662 HH21 HD21 ' C' ' 37' ' ' ASN . 34.3 mtt-85 -67.17 -39.99 86.53 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.03 -42.74 90.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.28 -0.887 . . . . 0.0 109.078 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 70.7 p -60.02 -40.09 88.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.075 -1.016 . . . . 0.0 109.826 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.35 95.44 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.137 -0.977 . . . . 0.0 108.511 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 95.6 mt -61.09 -39.24 81.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.711 -0.618 . . . . 0.0 109.759 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -60.06 -40.51 89.73 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.222 -0.924 . . . . 0.0 108.983 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.31 -46.66 89.08 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.427 -0.796 . . . . 0.0 109.639 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 61.0 m-85 -65.25 -38.37 90.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.257 -0.902 . . . . 0.0 109.701 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 48.0 mt -60.0 -40.05 87.86 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.936 -1.103 . . . . 0.0 108.809 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -59.99 -39.92 87.39 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.646 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.94 -40.03 87.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.194 -0.941 . . . . 0.0 109.065 179.768 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . 0.646 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -59.94 -33.93 72.57 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.066 -1.021 . . . . 0.0 108.79 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . 0.435 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 58.3 tt0 -59.21 -39.99 84.39 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 81.3 mt -77.19 116.75 18.09 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . 0.56 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 38.6 m-80 -131.62 -69.93 0.6 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.138 -0.976 . . . . 0.0 109.917 -179.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.22 87.84 1.62 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.377 -0.827 . . . . 0.0 108.795 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 58' ' ' TRP . . . . . 0.427 ' CD1' ' N ' ' C' ' 58' ' ' TRP . 35.3 m95 -101.6 125.46 48.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.778 -0.576 . . . . 0.0 109.703 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 112.64 -4.51 26.19 Favored Glycine 0 N--CA 1.5 2.901 0 O-C-N 121.287 -0.883 . . . . 0.0 112.436 177.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.73 25.49 0.26 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.051 -1.852 . . . . 0.0 108.866 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 61' ' ' ALA . . . . . 0.534 ' O ' ' CE1' ' A' ' 62' ' ' PHE . . . -93.5 101.92 14.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.477 -0.764 . . . . 0.0 109.827 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 62' ' ' PHE . . . . . 0.545 ' CE1' ' O ' ' B' ' 61' ' ' ALA . 13.2 m-85 -107.12 7.33 29.56 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.954 -1.092 . . . . 0.0 109.329 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -158.93 24.82 0.21 Allowed 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -143.26 151.44 40.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.517 -0.739 . . . . 0.0 109.849 -178.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 t -110.94 57.7 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 177.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.51 159.95 43.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.755 -0.591 . . . . 0.0 109.611 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -120.88 134.01 55.3 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.512 ' O ' HG23 ' C' ' 68' ' ' THR . 8.2 t -94.98 119.87 34.23 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.213 -0.93 . . . . 0.0 110.048 -178.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . 0.548 ' O ' HG23 ' C' ' 69' ' ' THR . 9.2 t -112.47 121.61 45.33 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.56 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 46.5 t -119.56 97.43 50.01 Favored Pre-proline 0 N--CA 1.499 1.991 0 O-C-N 121.493 -0.754 . . . . 0.0 109.5 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -81.38 66.86 8.62 Favored 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.227 1.951 . . . . 0.0 112.049 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.447 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 20.3 t90 -69.54 129.45 91.47 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' C' ' 72' ' ' TRP . 66.9 Cg_exo -38.03 148.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 121.494 1.463 . . . . 0.0 111.59 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.539 HD22 ' NE2' ' C' ' 52' ' ' GLN . 17.1 t-20 -128.23 -58.91 1.19 Allowed 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.2 125.39 34.6 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 16.8 p -80.44 109.97 15.44 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.841 -1.162 . . . . 0.0 108.153 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 35.2 mt -79.67 137.04 36.95 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.844 0.83 . . . . 0.0 110.044 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.543 HG23 ' O ' ' C' ' 78' ' ' THR . 5.2 t -87.49 114.77 60.32 Favored Pre-proline 0 C--N 1.298 -1.642 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -91.25 -47.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 121.722 1.615 . . . . 0.0 114.094 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -121.78 -44.36 2.32 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.308 -0.87 . . . . 0.0 113.332 -176.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.614 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.2 p90 -60.02 -49.93 75.74 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.246 -1.534 . . . . 0.0 112.473 -175.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.614 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.9 t30 -72.55 -43.41 63.51 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.224 -1.548 . . . . 0.0 110.358 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -60.0 -49.67 76.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.068 -1.02 . . . . 0.0 110.884 -178.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.04 -42.1 94.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.726 -1.234 . . . . 0.0 109.816 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.433 HG23 ' O ' ' C' ' 81' ' ' TRP . 75.8 p -70.05 -39.99 75.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.319 -0.863 . . . . 0.0 109.621 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -68.05 -39.94 82.92 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.255 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -59.99 -40.45 89.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.757 -1.214 . . . . 0.0 108.253 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.03 -40.04 94.25 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.953 -1.092 . . . . 0.0 108.458 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.555 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 74.6 t90 -60.02 -49.96 75.62 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.541 -0.724 . . . . 0.0 110.034 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.42 -40.82 96.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.084 -1.01 . . . . 0.0 109.896 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -62.02 -41.99 98.69 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.016 -1.053 . . . . 0.0 110.396 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -60.09 -43.14 95.74 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.864 -1.147 . . . . 0.0 109.485 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.8 -42.12 91.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.446 -0.784 . . . . 0.0 109.426 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.34 -40.07 89.35 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.311 -0.868 . . . . 0.0 110.971 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -69.02 -39.98 78.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.738 -1.226 . . . . 0.0 109.449 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.47 -40.12 85.29 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.193 -0.942 . . . . 0.0 110.019 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . 0.427 ' O ' HG23 ' C' ' 101' ' ' THR . 97.1 mt-10 -67.04 -39.91 87.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.818 -1.176 . . . . 0.0 109.864 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.31 -40.08 81.82 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.211 -0.931 . . . . 0.0 109.534 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -67.87 -40.02 83.66 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.343 -0.848 . . . . 0.0 109.742 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.16 -41.23 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.09 -1.006 . . . . 0.0 109.567 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . 0.427 HG23 ' O ' ' C' ' 97' ' ' GLU . 40.9 p -63.74 -40.64 97.22 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.919 -1.113 . . . . 0.0 109.369 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.61 -49.13 78.75 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.318 -0.864 . . . . 0.0 109.794 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.12 -41.74 99.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.179 -0.95 . . . . 0.0 109.733 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . 0.459 HD23 HD11 ' C' ' 18' ' ' LEU . 84.5 mt -61.3 -41.41 96.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.001 -1.062 . . . . 0.0 109.592 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -64.25 -43.16 95.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.063 -1.023 . . . . 0.0 109.286 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.8 -40.94 97.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.409 -0.807 . . . . 0.0 109.797 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.28 95.0 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.291 -0.881 . . . . 0.0 109.765 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . 0.416 HE21 ' CD2' ' C' ' 18' ' ' LEU . 38.2 mm-40 -60.0 -49.88 75.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.079 -1.013 . . . . 0.0 109.603 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.2 -47.02 93.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.256 -0.902 . . . . 0.0 109.253 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -69.54 -40.03 77.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.475 -0.765 . . . . 0.0 110.599 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -60.01 -45.86 91.38 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.977 -1.077 . . . . 0.0 109.664 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.99 -40.03 95.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.136 -0.978 . . . . 0.0 109.479 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -65.75 -39.95 91.6 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.129 -0.982 . . . . 0.0 109.801 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -60.04 -41.29 91.96 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.937 -1.102 . . . . 0.0 109.736 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' C' ' 115' ' ' MET . 12.4 tmm? -70.04 -40.93 74.84 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.937 -1.102 . . . . 0.0 109.166 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -61.7 -44.49 96.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.388 -0.82 . . . . 0.0 109.182 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.24 -40.07 88.96 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.355 -0.841 . . . . 0.0 109.143 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 13.5 tp -59.99 -40.89 90.7 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.8 mt-30 -63.31 -39.84 95.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.509 -0.744 . . . . 0.0 109.669 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -60.09 -33.31 71.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.218 -0.926 . . . . 0.0 109.7 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 88.3 mt -58.1 -48.88 78.84 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.887 -1.133 . . . . 0.0 108.451 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -143.65 65.78 1.31 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.172 -0.955 . . . . 0.0 109.879 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.405 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.7 t . . . . . 0 N--CA 1.495 1.777 0 O-C-N 121.15 -0.969 . . . . 0.0 109.124 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 121.506 0.67 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.505 ' OE1' ' N ' ' A' ' 2' ' ' GLN . 1.0 OUTLIER -78.5 144.99 35.2 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.365 -0.834 . . . . 0.0 109.293 179.872 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 p -89.09 60.0 5.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.168 -0.957 . . . . 0.0 108.812 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.03 -39.94 94.02 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.458 -0.776 . . . . 0.0 108.985 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.404 HG22 ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -60.43 -42.47 96.11 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.213 -0.929 . . . . 0.0 109.12 179.781 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.25 -43.02 99.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.131 -0.981 . . . . 0.0 108.745 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.0 mt -60.25 -39.87 88.29 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.642 -0.662 . . . . 0.0 110.196 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.05 85.75 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.014 -1.054 . . . . 0.0 108.556 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.36 -45.94 44.59 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.04 -47.59 91.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.082 -1.246 . . . . 0.0 109.903 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.06 -41.66 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.124 -0.985 . . . . 0.0 108.47 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.94 -40.05 91.8 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -60.22 -45.34 93.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.476 -0.765 . . . . 0.0 109.739 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -60.33 -41.38 93.46 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.405 -0.81 . . . . 0.0 109.303 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.02 -46.85 88.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.223 -0.923 . . . . 0.0 109.476 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.32 -41.22 96.66 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.251 -0.906 . . . . 0.0 109.879 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.77 -41.48 97.76 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.09 -1.007 . . . . 0.0 108.638 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.37 -43.15 96.83 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.31 -49.99 75.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.481 -0.762 . . . . 0.0 109.803 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.31 -41.78 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 121.1 -1.0 . . . . 0.0 109.416 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.96 -43.85 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.168 -0.957 . . . . 0.0 109.129 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -60.71 -41.25 94.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.496 -0.753 . . . . 0.0 109.008 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.45 ' HE ' HD11 ' B' ' 103' ' ' LEU . 55.8 mtt-85 -61.32 -40.07 92.87 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.401 -0.812 . . . . 0.0 109.83 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.67 -39.92 90.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.949 -1.094 . . . . 0.0 109.412 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -60.2 -42.37 94.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.164 -0.96 . . . . 0.0 109.016 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -68.27 -40.44 81.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.269 -0.894 . . . . 0.0 109.068 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.464 HD23 HD13 ' B' ' 28' ' ' LEU . 24.9 tp -63.59 -40.56 97.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.527 -0.733 . . . . 0.0 109.53 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.434 HD13 HD23 ' C' ' 27' ' ' LEU . 23.8 mt -60.13 -40.4 89.64 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.302 -0.873 . . . . 0.0 109.628 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.23 -40.68 94.92 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.144 -0.972 . . . . 0.0 109.667 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.573 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 88.1 mt -62.78 -39.97 95.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 0.0 109.276 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.7 p -66.19 -40.2 90.26 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.052 -1.03 . . . . 0.0 109.55 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.49 -40.0 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.19 -0.944 . . . . 0.0 109.014 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -60.24 -44.19 95.44 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.471 -0.768 . . . . 0.0 110.24 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -47.37 91.32 Favored Glycine 0 N--CA 1.49 2.254 0 C-N-CA 119.558 -1.306 . . . . 0.0 109.908 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.26 -50.04 75.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.051 -1.264 . . . . 0.0 109.941 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -60.31 -39.95 88.84 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.153 -0.967 . . . . 0.0 109.696 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -59.98 -40.08 87.88 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.238 -0.914 . . . . 0.0 109.093 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.94 -40.24 88.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.067 -1.021 . . . . 0.0 109.425 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -59.89 -40.25 88.12 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.315 -0.866 . . . . 0.0 109.681 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.0 p -60.03 -42.79 95.13 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.072 -1.017 . . . . 0.0 108.622 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.624 HH21 ' CG ' ' B' ' 82' ' ' ASN . 60.3 mtt-85 -64.31 -39.92 94.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 0.0 109.188 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -45.29 95.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 C-N-CA 119.379 -0.928 . . . . 0.0 108.855 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.5 p -60.19 -42.2 94.54 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.898 -1.126 . . . . 0.0 109.905 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.5 95.97 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.213 -0.929 . . . . 0.0 108.913 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.9 mt -60.04 -39.08 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.697 -0.627 . . . . 0.0 109.456 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.8 -40.57 88.77 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.113 -0.992 . . . . 0.0 109.413 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.79 -41.13 99.12 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.844 -1.16 . . . . 0.0 108.926 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 51.4 m-85 -67.17 -39.56 86.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.523 -0.735 . . . . 0.0 109.77 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.04 -39.98 87.81 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.794 -1.191 . . . . 0.0 108.726 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.84 -39.7 86.01 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.973 -1.079 . . . . 0.0 109.081 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.73 -39.77 85.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.232 -0.918 . . . . 0.0 108.876 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.5 ' NE2' HD21 ' B' ' 74' ' ' ASN . 0.9 OUTLIER -59.83 -40.0 87.02 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.005 -1.059 . . . . 0.0 109.328 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.42 85.55 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 120.672 -1.267 . . . . 0.0 108.254 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.89 -39.85 86.73 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.334 -0.854 . . . . 0.0 108.768 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.9 mt -69.31 117.77 11.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.152 -0.967 . . . . 0.0 108.751 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.731 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 71.3 m-80 -134.69 -69.4 0.52 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.257 -0.902 . . . . 0.0 110.549 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.795 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -151.27 116.82 5.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.202 -0.937 . . . . 0.0 109.538 -179.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.828 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 89.9 m95 -100.35 129.93 46.39 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.401 -0.812 . . . . 0.0 110.436 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' B' ' 60' ' ' ALA . . . 61.49 25.3 64.96 Favored Glycine 0 N--CA 1.49 2.283 0 C-N-CA 120.021 -1.085 . . . . 0.0 110.434 178.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -76.12 23.7 0.14 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.859 -1.377 . . . . 0.0 109.492 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.439 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.71 99.84 1.27 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.986 -1.071 . . . . 0.0 110.426 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -108.46 11.79 26.64 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.195 -0.941 . . . . 0.0 109.555 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.482 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 22.4 mmm180 -133.59 23.15 3.99 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 177.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.539 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -150.57 153.11 35.17 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.269 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -101.22 60.33 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.102 -0.999 . . . . 0.0 108.525 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.98 157.4 43.11 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.526 -0.734 . . . . 0.0 109.363 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -129.6 132.21 46.71 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.89 112.24 24.13 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.908 -1.12 . . . . 0.0 109.349 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.61 121.47 44.27 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.731 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 57.3 t -123.8 83.3 54.57 Favored Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 121.417 -0.802 . . . . 0.0 110.174 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -86.73 62.54 4.5 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.909 2.406 . . . . 0.0 110.873 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' PRO . 22.2 t90 -69.19 132.55 89.96 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.408 ' C ' ' O ' ' A' ' 72' ' ' TRP . 78.1 Cg_exo -38.59 149.04 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 121.75 1.633 . . . . 0.0 110.889 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.53 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 38.1 t-20 -127.56 -53.99 1.35 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.242 -0.911 . . . . 0.0 110.175 -178.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.11 126.88 38.43 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.492 -0.755 . . . . 0.0 109.607 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.0 t -81.95 109.69 16.54 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -83.75 136.23 34.24 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.731 0.777 . . . . 0.0 110.478 -177.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 78' ' ' THR . 9.2 t -94.93 110.77 51.66 Favored Pre-proline 0 N--CA 1.493 1.684 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -90.58 -49.53 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.375 0 C-N-CA 121.787 1.658 . . . . 0.0 115.596 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -122.12 -43.05 2.34 Favored 'General case' 0 N--CA 1.507 2.41 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.645 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.8 p90 -59.57 -49.59 77.18 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.433 -1.417 . . . . 0.0 112.089 -175.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.645 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 63.7 t30 -71.09 -40.29 71.62 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.252 -1.53 . . . . 0.0 111.009 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.89 -50.13 74.98 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.067 -1.021 . . . . 0.0 110.657 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.84 -47.13 87.77 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.882 -1.137 . . . . 0.0 109.325 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.7 p -68.27 -39.93 82.01 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.481 -0.762 . . . . 0.0 110.199 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -66.89 -40.18 87.67 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.017 -1.052 . . . . 0.0 109.098 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -59.89 -40.59 89.25 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 118.677 -1.209 . . . . 0.0 108.553 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.96 -40.48 93.53 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.157 -0.965 . . . . 0.0 108.864 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.545 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 65.2 t90 -60.47 -49.64 76.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.302 -0.874 . . . . 0.0 109.353 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -63.12 -42.54 99.54 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.216 -0.927 . . . . 0.0 109.318 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.405 ' HG2' HH11 ' A' ' 91' ' ' ARG . 52.8 mtt-85 -62.09 -43.25 99.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.151 -0.968 . . . . 0.0 110.498 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -60.35 -41.8 94.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.974 -1.079 . . . . 0.0 109.037 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.77 -40.11 87.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.339 -0.851 . . . . 0.0 109.381 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.96 -39.98 94.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.145 -0.972 . . . . 0.0 110.745 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -70.05 -40.04 75.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.729 -1.232 . . . . 0.0 109.63 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.63 -41.07 88.91 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.103 -0.998 . . . . 0.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 101' ' ' THR . 86.7 tt0 -60.21 -48.57 81.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.273 -0.892 . . . . 0.0 109.06 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.34 -42.93 99.5 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.557 -0.714 . . . . 0.0 109.743 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -64.39 -40.18 95.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.223 -0.923 . . . . 0.0 109.867 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.7 mt -67.79 -40.09 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.081 -1.012 . . . . 0.0 109.709 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 97' ' ' GLU . 43.5 p -63.43 -40.32 96.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.941 -1.1 . . . . 0.0 109.481 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.77 -50.1 74.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.314 -0.866 . . . . 0.0 110.097 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.403 HD11 ' HE ' ' C' ' 23' ' ' ARG . 99.1 mt -61.44 -41.76 97.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.105 -0.997 . . . . 0.0 109.708 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.69 -43.8 97.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.157 -0.964 . . . . 0.0 109.256 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.96 -47.79 84.37 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.183 -0.948 . . . . 0.0 109.422 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.84 -40.2 94.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.053 -1.029 . . . . 0.0 109.475 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.03 -45.58 94.21 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.3 -0.875 . . . . 0.0 109.611 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.15 -48.28 82.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -0.943 . . . . 0.0 109.316 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.17 -48.78 86.7 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.286 -0.884 . . . . 0.0 108.682 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -67.68 -39.98 84.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.28 -0.888 . . . . 0.0 110.588 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -60.35 -50.01 75.33 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.991 -1.068 . . . . 0.0 109.912 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.05 -41.37 99.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.174 -0.954 . . . . 0.0 109.007 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -61.54 -42.41 98.78 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.348 -0.845 . . . . 0.0 110.113 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -62.22 -40.92 97.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.803 -1.186 . . . . 0.0 109.216 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.14 -40.77 78.04 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.268 -0.895 . . . . 0.0 108.588 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -60.02 -47.66 84.92 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.362 -0.836 . . . . 0.0 108.768 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.12 -40.09 92.46 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.29 -0.881 . . . . 0.0 109.098 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.41 -41.69 94.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.521 -0.737 . . . . 0.0 109.732 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.3 mt-30 -60.3 -40.68 91.36 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.027 -1.046 . . . . 0.0 109.596 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -60.76 -39.81 90.14 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.117 -0.989 . . . . 0.0 109.423 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.49 -49.37 78.04 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -116.23 59.12 0.74 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.428 -0.795 . . . . 0.0 109.139 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 119' ' ' GLN . 3.1 t . . . . . 0 N--CA 1.494 1.759 0 O-C-N 120.956 -1.09 . . . . 0.0 109.323 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.498 ' N ' ' OE1' ' B' ' 2' ' ' GLN . 1.0 OUTLIER -78.81 145.0 34.54 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.481 -0.762 . . . . 0.0 109.316 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 37.8 p -88.84 59.73 5.19 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.2 -0.938 . . . . 0.0 108.972 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.0 -39.95 94.0 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.32 -0.863 . . . . 0.0 109.232 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -42.72 95.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.122 -0.986 . . . . 0.0 109.072 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.14 -43.14 99.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.095 -1.003 . . . . 0.0 108.635 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 41.2 mt -60.3 -39.98 88.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.678 -0.638 . . . . 0.0 110.104 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.11 -40.23 84.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.995 -1.065 . . . . 0.0 108.397 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.23 -45.81 46.52 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.24 -47.89 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.288 -1.125 . . . . 0.0 109.935 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.16 -41.16 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.132 -0.98 . . . . 0.0 108.457 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -61.09 -40.03 92.18 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -60.01 -45.47 92.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.456 -0.778 . . . . 0.0 109.884 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -60.48 -41.65 94.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.443 -0.786 . . . . 0.0 109.251 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -60.2 -46.76 88.62 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -0.891 . . . . 0.0 109.205 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.72 -41.52 95.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.209 -0.932 . . . . 0.0 109.952 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.0 -41.37 97.97 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.973 -1.079 . . . . 0.0 108.606 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.3 -43.46 96.28 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.96 -50.19 74.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.506 -0.746 . . . . 0.0 109.812 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 83.2 t -59.99 -41.54 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.157 -0.964 . . . . 0.0 109.386 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.13 -44.01 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.275 -0.891 . . . . 0.0 109.13 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -60.67 -41.37 94.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.516 -0.74 . . . . 0.0 109.184 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.422 HH11 ' HG2' ' B' ' 23' ' ' ARG . 55.9 mtt-85 -61.19 -39.92 92.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.414 -0.804 . . . . 0.0 109.894 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.44 -40.18 90.21 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.036 -1.04 . . . . 0.0 109.45 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.37 -42.14 95.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.865 . . . . 0.0 109.063 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.27 -40.14 81.96 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.318 -0.864 . . . . 0.0 109.008 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.477 HD23 HD13 ' C' ' 28' ' ' LEU . 25.1 tp -64.2 -40.35 95.89 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.445 -0.784 . . . . 0.0 109.431 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.464 HD13 HD23 ' A' ' 27' ' ' LEU . 24.4 mt -60.2 -40.3 89.59 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.324 -0.86 . . . . 0.0 109.688 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.52 -41.06 96.75 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.109 -0.994 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.576 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 87.7 mt -62.23 -40.04 94.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.103 -0.998 . . . . 0.0 109.402 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 73.0 p -66.49 -40.09 89.1 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.226 -0.921 . . . . 0.0 109.467 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.51 -40.37 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.148 -0.97 . . . . 0.0 108.861 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -60.01 -43.94 94.92 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.383 -0.823 . . . . 0.0 110.32 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -47.45 90.93 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.25 -49.97 75.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.148 -1.207 . . . . 0.0 109.973 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -60.61 -39.85 89.7 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.194 -0.941 . . . . 0.0 109.522 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.22 -0.925 . . . . 0.0 109.311 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.17 -39.96 88.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.927 . . . . 0.0 109.343 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -60.0 -40.08 87.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.34 -0.85 . . . . 0.0 109.709 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 57.2 p -60.0 -43.14 95.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.019 -1.051 . . . . 0.0 108.628 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.603 HH21 ' CG ' ' C' ' 82' ' ' ASN . 60.0 mtt-85 -64.21 -40.0 95.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.374 -0.828 . . . . 0.0 109.057 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.95 -45.32 95.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 C-N-CA 119.211 -0.996 . . . . 0.0 108.929 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -60.18 -41.9 93.89 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.034 -1.041 . . . . 0.0 109.982 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.03 98.69 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.07 -1.019 . . . . 0.0 108.874 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.02 -39.3 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.688 -0.632 . . . . 0.0 109.457 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.64 -40.31 87.23 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.103 -0.998 . . . . 0.0 109.516 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.33 -40.86 98.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.8 -1.187 . . . . 0.0 108.553 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.53 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 51.0 m-85 -67.12 -39.82 86.73 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.365 -0.834 . . . . 0.0 109.834 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 42.7 mt -59.84 -39.94 86.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.733 -1.229 . . . . 0.0 108.762 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.93 -39.35 85.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.932 -1.105 . . . . 0.0 109.114 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -59.8 -39.77 86.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.222 -0.924 . . . . 0.0 109.108 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.506 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.8 OUTLIER -59.94 -39.93 87.23 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.975 -1.078 . . . . 0.0 109.188 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.74 86.18 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 120.772 -1.205 . . . . 0.0 108.247 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.76 -39.81 86.05 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.16 -0.963 . . . . 0.0 108.85 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -69.42 117.85 11.55 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.017 -1.052 . . . . 0.0 108.645 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.735 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 70.5 m-80 -134.47 -69.36 0.52 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.095 -1.003 . . . . 0.0 110.461 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.828 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -151.15 117.0 5.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.219 -0.925 . . . . 0.0 109.658 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' TRP . . . . . 0.75 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 89.8 m95 -100.54 129.92 46.54 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.404 -0.81 . . . . 0.0 110.469 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 61.56 25.57 65.46 Favored Glycine 0 N--CA 1.489 2.229 0 C-N-CA 119.898 -1.144 . . . . 0.0 110.274 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -76.6 23.63 0.16 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.637 -1.508 . . . . 0.0 109.433 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.418 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.26 99.57 1.33 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.682 -1.261 . . . . 0.0 110.41 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -108.26 11.53 27.22 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.098 -1.001 . . . . 0.0 109.643 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.475 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 22.6 mmm180 -133.35 23.08 4.07 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 177.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . 0.536 HE21 ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -150.42 153.07 35.31 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.136 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.6 t -101.02 60.59 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.043 -1.036 . . . . 0.0 108.602 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.15 157.3 42.97 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.436 -0.79 . . . . 0.0 109.333 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -129.68 132.11 46.58 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.417 ' H ' HG22 ' B' ' 68' ' ' THR . 0.0 OUTLIER -92.92 112.31 24.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.927 -1.108 . . . . 0.0 109.316 -179.081 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.64 121.87 45.46 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.735 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 53.5 t -124.36 83.41 57.23 Favored Pre-proline 0 N--CA 1.499 1.99 0 O-C-N 121.415 -0.803 . . . . 0.0 110.153 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -86.62 62.65 4.61 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 122.902 2.401 . . . . 0.0 110.756 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.413 ' O ' ' C ' ' B' ' 73' ' ' PRO . 23.0 t90 -69.3 132.51 89.76 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.376 -0.827 . . . . 0.0 109.106 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.413 ' C ' ' O ' ' B' ' 72' ' ' TRP . 83.2 Cg_exo -38.38 149.27 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 121.695 1.597 . . . . 0.0 110.858 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.549 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 36.7 t-20 -127.79 -54.3 1.32 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.217 -0.927 . . . . 0.0 109.899 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.25 126.97 38.65 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.294 -0.879 . . . . 0.0 109.572 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.2 t -81.82 109.91 16.64 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.1 mt -83.79 136.18 34.25 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 121.624 0.726 . . . . 0.0 110.54 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.651 ' O ' HG23 ' B' ' 78' ' ' THR . 9.2 t -94.72 111.46 54.3 Favored Pre-proline 0 N--CA 1.493 1.687 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -91.07 -50.06 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.267 0 C-N-CA 121.824 1.682 . . . . 0.0 115.193 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -121.55 -42.97 2.41 Favored 'General case' 0 N--CA 1.508 2.45 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -176.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.66 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.7 p90 -59.61 -49.52 77.45 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.435 -1.416 . . . . 0.0 112.133 -175.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.66 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 63.0 t30 -71.08 -40.56 71.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.234 -1.541 . . . . 0.0 110.844 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -60.15 -49.97 75.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.018 -1.051 . . . . 0.0 110.666 -178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.49 -47.15 87.39 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.835 -1.166 . . . . 0.0 109.248 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 70.5 p -68.5 -40.17 80.98 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.317 -0.865 . . . . 0.0 110.151 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -66.51 -40.14 89.06 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.94 -1.1 . . . . 0.0 109.319 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.1 -40.31 89.22 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.658 -1.276 . . . . 0.0 108.482 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.93 -40.76 94.45 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.075 -1.015 . . . . 0.0 108.944 178.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.573 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 64.7 t90 -60.09 -49.87 75.95 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.187 -0.945 . . . . 0.0 109.225 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -63.38 -42.4 98.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.206 -0.934 . . . . 0.0 109.231 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' B' ' 91' ' ' ARG . 53.3 mtt-85 -62.03 -43.53 98.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.149 -0.97 . . . . 0.0 110.305 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -60.05 -41.39 92.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.701 -1.25 . . . . 0.0 109.235 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.03 -40.14 88.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.294 -0.879 . . . . 0.0 109.265 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.76 -40.21 94.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.121 -0.987 . . . . 0.0 110.741 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -69.86 -39.95 76.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.814 -1.179 . . . . 0.0 109.602 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.83 -41.03 88.12 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.198 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.16 -48.63 80.92 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.294 -0.879 . . . . 0.0 108.965 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -61.38 -43.52 98.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.56 -0.713 . . . . 0.0 109.567 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -63.96 -40.15 95.75 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.235 -0.915 . . . . 0.0 109.955 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -67.69 -40.32 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.138 -0.977 . . . . 0.0 109.594 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.6 p -63.46 -40.26 96.66 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.941 -1.1 . . . . 0.0 109.51 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.78 -49.88 75.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.296 -0.877 . . . . 0.0 110.098 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.45 HD11 ' HE ' ' A' ' 23' ' ' ARG . 99.2 mt -61.6 -41.77 97.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.138 -0.976 . . . . 0.0 109.58 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.72 -43.38 97.94 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.18 -0.95 . . . . 0.0 109.166 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.08 -47.91 83.93 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.189 -0.944 . . . . 0.0 109.462 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.8 -40.4 95.17 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.171 -0.956 . . . . 0.0 109.552 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.72 92.91 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.197 -0.939 . . . . 0.0 109.574 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.28 -48.1 83.19 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.193 -0.942 . . . . 0.0 109.391 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.08 -49.04 85.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 121.332 -0.855 . . . . 0.0 108.735 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -67.64 -40.01 84.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.417 -0.802 . . . . 0.0 110.568 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.54 -50.04 75.14 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.1 -1.0 . . . . 0.0 110.014 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -62.69 -41.75 99.27 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.161 -0.962 . . . . 0.0 109.001 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -61.39 -42.3 98.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.359 -0.838 . . . . 0.0 110.083 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.34 -41.15 98.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.836 -1.165 . . . . 0.0 109.199 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -68.81 -40.72 79.41 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.23 -0.919 . . . . 0.0 108.703 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -60.19 -47.83 84.3 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.0 -39.93 91.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.214 -0.929 . . . . 0.0 109.134 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.67 -41.21 94.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.459 -0.776 . . . . 0.0 109.881 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.6 mt-30 -60.45 -40.79 92.44 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.151 -0.968 . . . . 0.0 109.598 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -60.63 -39.63 88.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.206 -0.934 . . . . 0.0 109.456 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.55 -49.51 77.49 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -116.13 58.99 0.74 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.652 -0.655 . . . . 0.0 109.311 178.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.411 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.8 t . . . . . 0 N--CA 1.493 1.697 0 O-C-N 120.947 -1.096 . . . . 0.0 109.439 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . 0.494 ' OE1' ' N ' ' C' ' 2' ' ' GLN . 1.0 OUTLIER -79.28 144.99 33.77 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.31 -0.868 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 38.7 p -89.03 59.88 5.19 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.137 -0.977 . . . . 0.0 108.908 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.67 -39.91 93.09 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.348 -0.845 . . . . 0.0 109.137 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.4 ' H ' HG22 ' C' ' 5' ' ' THR . 0.1 OUTLIER -60.3 -43.11 96.58 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.123 -0.985 . . . . 0.0 109.255 179.646 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.91 -43.17 99.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.181 -0.949 . . . . 0.0 108.54 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 39.5 mt -60.46 -39.85 89.04 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.564 -0.71 . . . . 0.0 110.167 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.06 84.53 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.973 -1.079 . . . . 0.0 108.463 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.01 -45.93 47.65 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.16 -48.32 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.178 -1.19 . . . . 0.0 109.785 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.15 -41.27 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.91 -39.95 91.28 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.453 -0.779 . . . . 0.0 108.951 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -60.3 -45.62 92.72 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.412 -0.805 . . . . 0.0 109.454 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -60.28 -41.61 93.69 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.406 -0.809 . . . . 0.0 109.321 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.14 -46.77 88.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.15 -0.969 . . . . 0.0 109.333 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.74 -41.26 95.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.297 -0.877 . . . . 0.0 109.933 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.31 -40.82 97.58 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.034 -1.041 . . . . 0.0 108.675 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.6 -43.61 97.2 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -60.07 -49.99 75.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.409 -0.807 . . . . 0.0 109.727 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.23 -40.84 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.033 -1.042 . . . . 0.0 109.558 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.68 -43.94 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.189 -0.944 . . . . 0.0 109.086 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -60.66 -41.37 94.86 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.408 HH11 ' HG2' ' C' ' 23' ' ' ARG . 55.0 mtt-85 -61.11 -40.13 92.6 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.43 -0.794 . . . . 0.0 109.94 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.49 -40.29 90.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.251 -0.906 . . . . 0.0 109.407 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -59.95 -42.54 94.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.341 -0.849 . . . . 0.0 108.912 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.05 -40.12 82.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.19 -0.944 . . . . 0.0 109.112 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.434 HD23 HD13 ' A' ' 28' ' ' LEU . 25.1 tp -64.22 -40.3 95.77 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.477 -0.764 . . . . 0.0 109.508 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.477 HD13 HD23 ' B' ' 27' ' ' LEU . 23.6 mt -60.49 -40.45 91.38 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.307 -0.871 . . . . 0.0 109.467 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.18 -40.46 94.0 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.161 -0.962 . . . . 0.0 109.52 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.545 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.9 mt -62.96 -40.11 96.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.201 -0.937 . . . . 0.0 109.081 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.0 p -65.86 -40.29 91.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.042 -1.036 . . . . 0.0 109.546 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.2 -40.37 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.267 -0.896 . . . . 0.0 109.074 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -60.15 -44.38 95.01 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.515 -0.741 . . . . 0.0 110.341 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.82 -46.91 93.28 Favored Glycine 0 N--CA 1.489 2.197 0 C-N-CA 119.397 -1.383 . . . . 0.0 109.945 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.55 -49.92 75.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.124 -1.221 . . . . 0.0 110.008 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -60.51 -40.07 90.08 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.115 -0.991 . . . . 0.0 109.417 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -59.9 -40.11 87.66 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.318 -0.864 . . . . 0.0 109.315 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.94 -40.03 87.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.165 -0.959 . . . . 0.0 109.333 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -60.09 -40.0 88.1 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.155 -0.966 . . . . 0.0 109.49 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 57.9 p -59.84 -43.66 94.5 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.027 -1.046 . . . . 0.0 108.753 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.625 HH21 ' CG ' ' A' ' 82' ' ' ASN . 60.8 mtt-85 -63.81 -39.95 95.47 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.331 -0.855 . . . . 0.0 109.165 178.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.12 -45.31 95.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 C-N-CA 119.319 -0.953 . . . . 0.0 108.801 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 70.0 p -60.03 -42.19 93.87 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.027 -1.045 . . . . 0.0 109.912 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.3 96.6 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.089 -1.007 . . . . 0.0 108.934 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.09 -38.9 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.641 -0.662 . . . . 0.0 109.469 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -59.9 -40.46 88.85 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.334 -0.854 . . . . 0.0 109.56 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.2 -41.12 99.13 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.832 -1.147 . . . . 0.0 108.524 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.53 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 51.7 m-85 -66.9 -39.9 87.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.548 -0.72 . . . . 0.0 109.845 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 40.5 mt -59.83 -40.03 87.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.724 -1.235 . . . . 0.0 108.578 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.84 -39.69 85.98 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.924 -1.11 . . . . 0.0 109.015 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -59.65 -39.55 84.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.017 -1.052 . . . . 0.0 109.017 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.499 ' NE2' HD21 ' A' ' 74' ' ' ASN . 0.9 OUTLIER -60.04 -39.93 87.6 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.834 -1.166 . . . . 0.0 109.356 -179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.81 -39.58 85.49 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.757 -1.214 . . . . 0.0 108.18 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.81 -39.78 86.2 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.287 -0.883 . . . . 0.0 108.92 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 55.3 mt -69.71 117.7 11.64 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.114 -0.991 . . . . 0.0 108.639 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . 0.738 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 70.3 m-80 -134.45 -69.6 0.52 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.348 -0.845 . . . . 0.0 110.57 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . 0.75 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -151.07 116.87 5.49 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.254 -0.904 . . . . 0.0 109.429 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 58' ' ' TRP . . . . . 0.795 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 90.5 m95 -100.56 129.85 46.55 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.458 -0.776 . . . . 0.0 110.162 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 60' ' ' ALA . . . 61.76 25.24 65.4 Favored Glycine 0 N--CA 1.49 2.257 0 C-N-CA 120.11 -1.043 . . . . 0.0 110.591 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . 0.423 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -76.56 24.01 0.15 Allowed 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.606 -1.526 . . . . 0.0 109.669 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 61' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.48 99.18 1.29 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.983 -1.073 . . . . 0.0 110.466 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -107.97 11.59 27.73 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.185 -0.947 . . . . 0.0 109.64 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . 0.475 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 22.5 mmm180 -133.31 23.03 4.08 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . 0.539 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -150.48 153.02 35.13 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.183 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.5 t -101.01 60.48 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.996 -1.065 . . . . 0.0 108.646 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.93 157.55 43.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.472 -0.768 . . . . 0.0 109.418 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -129.71 132.02 46.5 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.61 112.22 24.09 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.827 -1.171 . . . . 0.0 109.385 -179.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.49 121.62 44.82 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.738 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 55.5 t -123.94 83.1 55.35 Favored Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 121.341 -0.849 . . . . 0.0 110.286 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -86.62 62.66 4.61 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.992 2.461 . . . . 0.0 110.962 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' C' ' 73' ' ' PRO . 23.4 t90 -69.47 132.69 89.34 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.532 -0.73 . . . . 0.0 109.155 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.401 ' C ' ' O ' ' C' ' 72' ' ' TRP . 79.0 Cg_exo -38.44 149.06 0.08 OUTLIER 'Trans proline' 0 N--CA 1.488 1.162 0 C-N-CA 121.589 1.526 . . . . 0.0 110.978 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.53 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 37.2 t-20 -127.68 -54.54 1.33 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.271 -0.893 . . . . 0.0 110.027 -178.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.08 126.85 38.38 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.374 -0.829 . . . . 0.0 109.542 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 11.4 t -81.74 109.75 16.43 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 36.2 mt -83.59 136.3 34.29 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.759 0.79 . . . . 0.0 110.454 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.665 HG23 ' O ' ' C' ' 78' ' ' THR . 9.0 t -94.97 111.23 53.84 Favored Pre-proline 0 N--CA 1.492 1.675 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -91.15 -49.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.407 0 C-N-CA 121.821 1.681 . . . . 0.0 115.38 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -121.84 -42.82 2.38 Favored 'General case' 0 N--CA 1.507 2.401 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -176.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.658 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.9 p90 -59.9 -49.67 76.79 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.359 -1.463 . . . . 0.0 112.045 -175.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.658 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 63.3 t30 -70.89 -40.29 72.31 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.355 -1.465 . . . . 0.0 110.85 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -60.01 -50.2 74.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.937 -1.102 . . . . 0.0 110.604 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.73 -46.79 89.08 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.898 -1.126 . . . . 0.0 109.389 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 72.4 p -68.68 -40.24 80.2 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.446 -0.784 . . . . 0.0 110.168 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 -66.47 -40.01 89.12 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 118.865 -1.134 . . . . 0.0 109.506 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.15 -40.34 89.52 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 118.575 -1.25 . . . . 0.0 108.586 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.87 -40.69 93.93 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.086 -1.009 . . . . 0.0 108.709 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.576 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 65.9 t90 -60.03 -49.87 75.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.182 -0.949 . . . . 0.0 109.346 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -63.25 -41.75 99.09 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.176 -0.953 . . . . 0.0 109.411 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' C' ' 91' ' ' ARG . 52.4 mtt-85 -62.6 -43.41 98.88 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.169 -0.957 . . . . 0.0 110.431 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -60.26 -41.22 92.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.88 -1.138 . . . . 0.0 109.203 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.14 -40.29 88.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.368 -0.832 . . . . 0.0 109.182 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.86 -40.03 93.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.363 -0.835 . . . . 0.0 110.908 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -70.0 -39.98 75.56 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.776 -1.202 . . . . 0.0 109.608 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.86 -41.15 87.79 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.107 -0.996 . . . . 0.0 109.107 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . 0.429 ' O ' HG23 ' C' ' 101' ' ' THR . 86.6 tt0 -60.26 -48.19 82.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 108.948 179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.79 -42.86 99.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.386 -0.821 . . . . 0.0 109.7 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -64.45 -40.38 95.61 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.31 -0.869 . . . . 0.0 109.724 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 82.8 mt -67.55 -39.94 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.233 -0.917 . . . . 0.0 109.731 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . 0.429 HG23 ' O ' ' C' ' 97' ' ' GLU . 42.2 p -63.63 -40.27 96.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.951 -1.093 . . . . 0.0 109.356 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.86 -49.98 75.28 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.229 -0.919 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . 0.413 HD11 ' HE ' ' B' ' 23' ' ' ARG . 98.3 mt -61.56 -41.67 97.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.06 -1.025 . . . . 0.0 109.686 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.96 -43.46 98.7 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.144 -0.973 . . . . 0.0 109.16 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.84 -47.76 84.41 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.201 -0.937 . . . . 0.0 109.651 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.03 -40.2 94.49 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.239 -0.913 . . . . 0.0 109.303 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.74 93.36 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.223 -0.923 . . . . 0.0 109.59 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.18 -48.17 82.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.183 -0.948 . . . . 0.0 109.261 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.87 -49.31 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -67.44 -40.05 85.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.5 -0.75 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -60.33 -50.09 75.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.031 -1.043 . . . . 0.0 109.945 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -62.42 -42.02 99.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.078 -1.014 . . . . 0.0 109.078 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -60.86 -42.77 98.53 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.442 -0.786 . . . . 0.0 110.128 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.1 -41.75 98.52 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.768 -1.208 . . . . 0.0 109.22 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -68.44 -40.63 81.06 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.027 -1.046 . . . . 0.0 108.642 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -60.18 -47.74 84.65 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.08 -40.13 92.53 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.379 -0.825 . . . . 0.0 109.185 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.4 -41.31 93.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.517 -0.739 . . . . 0.0 109.745 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.4 mt-30 -60.46 -41.33 93.92 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.007 -1.058 . . . . 0.0 109.643 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -60.16 -39.57 86.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.057 -1.027 . . . . 0.0 109.505 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.6 -49.38 78.0 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -116.02 59.03 0.73 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.64 -0.662 . . . . 0.0 109.338 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.407 ' N ' ' O ' ' C' ' 119' ' ' GLN . 3.1 t . . . . . 0 N--CA 1.494 1.75 0 O-C-N 120.987 -1.071 . . . . 0.0 109.494 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.542 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 84.8 mt-30 -69.53 145.04 52.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.286 -0.884 . . . . 0.0 109.792 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 m -89.17 63.19 6.49 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.347 -0.846 . . . . 0.0 109.04 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.13 -40.07 94.7 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.567 -0.708 . . . . 0.0 109.263 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.501 HG23 ' N ' ' A' ' 6' ' ' LEU . 12.9 t -60.14 -42.26 94.46 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.139 -0.976 . . . . 0.0 109.046 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.501 ' N ' HG23 ' A' ' 5' ' ' THR . 64.4 tp -61.52 -41.35 97.19 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.9 mt -63.73 -39.15 93.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.499 -0.751 . . . . 0.0 109.325 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.35 91.88 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.062 -1.024 . . . . 0.0 108.616 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.53 -46.81 73.84 Favored Glycine 0 N--CA 1.486 2.015 0 N-CA-C 108.539 -1.824 . . . . 0.0 108.539 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.08 -50.02 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.471 -1.017 . . . . 0.0 109.387 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 69.2 t -60.5 -44.45 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.165 -0.959 . . . . 0.0 108.956 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.23 -40.18 93.06 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.48 -0.763 . . . . 0.0 109.207 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.03 -41.87 93.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.392 -0.817 . . . . 0.0 109.392 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.17 -40.69 90.81 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.054 -1.029 . . . . 0.0 109.543 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -60.19 -43.35 95.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.886 . . . . 0.0 108.613 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -62.11 -45.9 91.44 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.246 -0.909 . . . . 0.0 109.55 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.2 -43.85 95.6 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.216 -0.928 . . . . 0.0 109.055 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.89 -45.27 93.04 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.292 -0.88 . . . . 0.0 108.951 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -60.14 -47.13 87.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.384 -0.822 . . . . 0.0 109.722 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.08 -40.47 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.076 -1.015 . . . . 0.0 109.842 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -42.36 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.07 -1.019 . . . . 0.0 108.395 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -60.45 -40.37 90.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.536 -0.727 . . . . 0.0 109.122 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.581 ' NH1' HD22 ' B' ' 99' ' ' ASN . 31.1 mmt180 -60.11 -40.17 88.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.31 -0.869 . . . . 0.0 109.091 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -61.28 -39.97 92.41 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.22 -0.925 . . . . 0.0 109.438 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -60.13 -49.34 78.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.256 -0.902 . . . . 0.0 108.987 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.9 -44.28 97.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.333 -0.854 . . . . 0.0 109.36 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.05 -40.46 95.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.563 -0.711 . . . . 0.0 109.388 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.47 -40.67 92.09 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.275 -0.891 . . . . 0.0 109.709 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -60.56 -41.06 93.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.097 -1.002 . . . . 0.0 109.389 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.546 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.3 mt -61.32 -41.24 96.69 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.568 -0.707 . . . . 0.0 109.825 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -65.85 -40.02 91.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.095 -1.003 . . . . 0.0 109.557 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.11 -40.46 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.09 -1.006 . . . . 0.0 109.204 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -59.8 -43.8 94.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.291 -0.881 . . . . 0.0 109.919 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.47 -49.09 82.27 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.51 -50.06 75.06 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.158 -1.201 . . . . 0.0 110.272 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -61.35 -40.4 94.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.138 -0.976 . . . . 0.0 109.769 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.504 HD21 HH21 ' A' ' 41' ' ' ARG . 41.0 t30 -59.99 -41.58 92.37 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.254 -0.904 . . . . 0.0 109.64 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.19 -40.06 88.7 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.151 -0.968 . . . . 0.0 109.48 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -60.16 -42.47 95.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.043 -1.035 . . . . 0.0 109.645 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.4 p -60.15 -40.54 90.24 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.97 -1.081 . . . . 0.0 108.377 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.511 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 44.1 mtt-85 -67.66 -40.03 84.53 Favored 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.609 -0.836 . . . . 0.0 108.76 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.0 -41.58 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.9 p -60.09 -40.15 88.61 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.919 -1.113 . . . . 0.0 109.465 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.86 97.12 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.021 -1.049 . . . . 0.0 108.487 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.0 mt -61.51 -37.17 77.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.792 -0.568 . . . . 0.0 109.555 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.11 -40.1 88.51 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.17 -0.956 . . . . 0.0 108.91 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -64.55 -42.57 95.63 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.282 -0.886 . . . . 0.0 109.734 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.585 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 57.1 m-85 -67.87 -39.91 83.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.206 -0.934 . . . . 0.0 110.368 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.571 ' CD2' HE22 ' A' ' 52' ' ' GLN . 44.0 mt -60.17 -40.17 88.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.674 -1.266 . . . . 0.0 108.955 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -60.54 -40.08 90.24 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.643 -1.286 . . . . 0.0 108.952 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -59.98 -39.84 87.07 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.297 -0.877 . . . . 0.0 109.817 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.571 HE22 ' CD2' ' A' ' 49' ' ' LEU . 1.6 pt20 -59.69 -38.64 82.11 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.07 -1.018 . . . . 0.0 108.837 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.85 -39.19 80.55 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.931 -1.105 . . . . 0.0 108.041 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.01 -39.51 86.04 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.8 mt -70.53 117.96 12.73 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.077 -1.014 . . . . 0.0 108.684 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -133.19 -63.05 0.78 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.336 -0.852 . . . . 0.0 110.599 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.752 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -154.57 117.83 4.5 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.152 -0.967 . . . . 0.0 109.67 -178.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.759 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 65.6 m95 -101.43 124.27 46.83 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.398 -0.814 . . . . 0.0 110.628 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.53 22.98 75.31 Favored Glycine 0 N--CA 1.493 2.469 0 O-C-N 121.101 -1.0 . . . . 0.0 110.794 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.58 24.24 0.21 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.752 -1.44 . . . . 0.0 110.146 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.93 110.69 2.4 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.885 -1.135 . . . . 0.0 110.398 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.438 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 36.3 m-85 -117.45 11.95 14.04 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.335 -0.853 . . . . 0.0 109.388 178.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -137.79 23.85 2.86 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 177.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.405 ' NE2' ' CG ' ' C' ' 62' ' ' PHE . 17.4 mp0 -146.44 151.77 37.95 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.0 t -101.44 57.28 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.914 -1.116 . . . . 0.0 108.234 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.24 158.28 42.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.695 -0.628 . . . . 0.0 109.757 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -128.33 133.89 48.78 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.589 ' O ' HG23 ' A' ' 68' ' ' THR . 9.4 t -89.45 113.2 24.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.5 -1.375 . . . . 0.0 109.669 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 122.75 47.39 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.3 t -128.68 82.68 68.15 Favored Pre-proline 0 N--CA 1.497 1.881 0 O-C-N 121.255 -0.903 . . . . 0.0 109.536 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -87.35 60.84 3.77 Favored 'Trans proline' 0 C--N 1.312 -1.363 0 C-N-CA 122.972 2.448 . . . . 0.0 111.332 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' PRO . 17.0 t90 -69.53 129.95 91.05 Favored Pre-proline 0 C--N 1.299 -1.605 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' TRP . 91.0 Cg_exo -41.09 148.03 0.26 Allowed 'Trans proline' 0 N--CA 1.489 1.209 0 C-N-CA 121.235 1.29 . . . . 0.0 110.811 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 10.8 t-20 -125.36 -53.55 1.59 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.386 -0.822 . . . . 0.0 109.316 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.8 124.95 34.15 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.2 t -81.85 107.14 14.34 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.5 mt -81.72 136.47 35.46 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.835 0.826 . . . . 0.0 110.156 -178.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 78' ' ' THR . 2.0 t -94.03 113.04 59.59 Favored Pre-proline 0 C--N 1.298 -1.672 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -87.61 -47.73 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 121.622 1.548 . . . . 0.0 114.393 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -120.94 -44.57 2.41 Favored 'General case' 0 N--CA 1.51 2.545 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -177.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.58 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.1 p90 -59.94 -45.23 93.29 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.368 -1.458 . . . . 0.0 112.766 -175.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.58 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.3 t30 -75.11 -46.93 31.27 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.118 -1.614 . . . . 0.0 110.434 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.95 -50.25 74.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.322 -0.861 . . . . 0.0 110.698 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.54 -45.12 95.02 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.912 -1.117 . . . . 0.0 109.264 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.5 p -68.28 -39.94 81.98 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.284 -0.885 . . . . 0.0 109.902 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -66.84 -39.83 87.76 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.0 -1.063 . . . . 0.0 109.255 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -59.95 -41.08 91.08 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.689 -1.257 . . . . 0.0 108.901 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.18 -39.95 96.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.105 -0.997 . . . . 0.0 108.756 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.526 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 72.5 t90 -60.01 -50.15 74.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.455 -0.778 . . . . 0.0 109.45 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -62.1 -42.39 99.18 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.094 -1.004 . . . . 0.0 109.605 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HG2' HH11 ' A' ' 91' ' ' ARG . 0.9 OUTLIER -61.16 -42.21 98.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.349 -0.844 . . . . 0.0 110.367 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -60.16 -42.56 95.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.826 -1.171 . . . . 0.0 109.406 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -61.04 -41.39 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.228 -0.92 . . . . 0.0 109.085 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -59.98 -45.42 92.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.198 -0.939 . . . . 0.0 110.139 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -61.27 -42.68 99.05 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.919 -1.113 . . . . 0.0 109.544 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.65 -40.36 92.38 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 119.601 -0.84 . . . . 0.0 109.569 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 101' ' ' THR . 98.6 mt-10 -64.87 -40.13 94.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.015 -1.053 . . . . 0.0 109.683 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.3 -39.95 77.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 0.0 109.714 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.533 HD22 ' NH1' ' C' ' 23' ' ' ARG . 96.6 m-20 -67.33 -40.26 85.9 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.16 -0.962 . . . . 0.0 109.956 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.69 -40.26 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.126 -0.984 . . . . 0.0 109.369 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 97' ' ' GLU . 24.2 p -63.07 -40.87 98.97 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.153 -0.967 . . . . 0.0 109.897 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.11 -43.0 96.64 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.048 -1.033 . . . . 0.0 109.861 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.97 -40.49 91.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.189 -0.944 . . . . 0.0 109.446 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.45 -41.16 96.69 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.232 -0.917 . . . . 0.0 109.027 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.02 -50.17 74.8 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.311 -0.868 . . . . 0.0 109.57 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.56 -41.33 98.84 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.272 -0.892 . . . . 0.0 108.968 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.33 82.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.463 -0.773 . . . . 0.0 109.802 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.56 -45.4 94.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.25 -0.906 . . . . 0.0 109.49 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.9 mt -60.33 -49.57 83.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.306 -0.871 . . . . 0.0 109.019 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -67.77 -40.02 84.08 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.118 -0.988 . . . . 0.0 110.203 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -59.95 -44.52 94.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.01 -1.056 . . . . 0.0 110.053 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.65 -39.94 88.45 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.159 -0.963 . . . . 0.0 109.382 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -66.37 -39.96 89.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 0.0 109.736 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -62.46 -42.36 99.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -0.921 . . . . 0.0 109.669 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 26.2 ttt -68.66 -40.13 80.34 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.051 -1.03 . . . . 0.0 108.642 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -60.56 -48.57 81.19 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.421 -0.799 . . . . 0.0 109.384 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.06 -40.11 88.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.277 -0.889 . . . . 0.0 109.366 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.86 -42.32 93.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.357 -0.839 . . . . 0.0 109.606 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.7 mt-30 -61.74 -40.65 95.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.059 -1.026 . . . . 0.0 109.598 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -60.21 -39.1 85.4 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.244 -0.91 . . . . 0.0 109.402 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 88.4 mt -58.43 -48.63 80.07 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -121.82 59.87 0.98 Allowed 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.493 1.695 0 O-C-N 120.989 -1.07 . . . . 0.0 109.111 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.492 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.164 0.507 . . . . 0.0 109.688 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . 0.542 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 84.0 mt-30 -69.77 144.85 52.57 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.432 -0.793 . . . . 0.0 109.676 -179.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.3 m -88.89 63.11 6.65 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.37 -0.831 . . . . 0.0 109.084 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.04 -40.03 94.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.565 -0.71 . . . . 0.0 109.211 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.512 HG23 ' N ' ' B' ' 6' ' ' LEU . 13.2 t -60.44 -41.95 95.1 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.196 -0.94 . . . . 0.0 108.934 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.512 ' N ' HG23 ' B' ' 5' ' ' THR . 63.1 tp -61.97 -40.7 96.5 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.19 -39.63 94.4 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.574 -0.704 . . . . 0.0 109.142 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -41.12 90.36 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.052 -1.03 . . . . 0.0 108.47 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.77 -46.8 71.71 Favored Glycine 0 N--CA 1.485 1.925 0 N-CA-C 108.546 -1.821 . . . . 0.0 108.546 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.14 -49.98 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.394 -1.063 . . . . 0.0 109.438 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 68.5 t -60.14 -44.32 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.384 -0.822 . . . . 0.0 108.958 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.6 -39.96 93.09 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.525 -0.735 . . . . 0.0 109.169 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.431 HE22 ' HA ' ' C' ' 107' ' ' ALA . 5.4 tp-100 -60.12 -41.96 93.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.338 -0.851 . . . . 0.0 109.385 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -60.1 -40.75 90.73 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.041 -1.037 . . . . 0.0 109.336 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -60.02 -43.28 95.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.073 -1.017 . . . . 0.0 108.896 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -62.01 -46.25 90.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 109.433 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.02 -43.9 94.96 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.245 -0.909 . . . . 0.0 109.211 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.87 -45.43 92.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.279 -0.888 . . . . 0.0 108.994 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.02 -46.98 87.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.308 -0.87 . . . . 0.0 109.695 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.05 -40.76 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.988 -1.07 . . . . 0.0 109.84 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.08 -41.81 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.55 -40.38 91.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.429 -0.794 . . . . 0.0 109.118 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.503 ' NH1' HD22 ' C' ' 99' ' ' ASN . 31.0 mmt180 -60.38 -40.06 89.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.365 -0.834 . . . . 0.0 109.124 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -61.1 -40.15 92.66 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 119.718 -0.793 . . . . 0.0 109.599 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -60.09 -49.44 77.63 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.344 -0.848 . . . . 0.0 108.993 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.55 -44.35 96.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.343 -0.848 . . . . 0.0 109.422 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.3 tp -62.05 -40.6 96.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.455 -0.778 . . . . 0.0 109.532 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.12 -41.01 91.71 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.364 -0.835 . . . . 0.0 109.529 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 mtt-85 -60.61 -41.4 94.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.143 -0.973 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.526 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 84.8 mt -61.06 -41.06 95.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.11 -0.994 . . . . 0.0 110.025 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 79.8 p -65.76 -39.89 91.51 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.128 -0.982 . . . . 0.0 109.534 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.74 -40.04 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.056 -1.028 . . . . 0.0 109.223 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -60.06 -44.1 94.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.421 -0.799 . . . . 0.0 109.886 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.37 -48.93 83.59 Favored Glycine 0 N--CA 1.484 1.871 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.83 -49.99 75.25 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.101 -1.235 . . . . 0.0 110.132 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -61.33 -40.58 94.78 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.986 -1.071 . . . . 0.0 109.787 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.521 HD21 HH21 ' B' ' 41' ' ' ARG . 40.5 t30 -60.0 -40.77 90.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.238 -0.913 . . . . 0.0 109.644 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.91 -40.0 91.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.215 -0.928 . . . . 0.0 109.368 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -60.24 -42.15 94.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.125 -0.984 . . . . 0.0 109.541 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' B' ' 43' ' ' THR . 76.5 p -60.05 -40.63 90.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.022 -1.049 . . . . 0.0 108.581 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.521 HH21 HD21 ' B' ' 37' ' ' ASN . 44.7 mtt-85 -67.7 -39.98 84.33 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.1 -41.45 86.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' B' ' 40' ' ' THR . 72.6 p -60.28 -40.04 89.01 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.883 -1.136 . . . . 0.0 109.321 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -42.79 97.74 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.004 -1.06 . . . . 0.0 108.463 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.62 -36.97 76.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.764 -0.585 . . . . 0.0 109.647 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.11 88.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.005 -1.059 . . . . 0.0 108.916 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -64.7 -42.7 95.11 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.887 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.57 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 59.2 m-85 -67.63 -40.02 84.64 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.286 -0.884 . . . . 0.0 110.128 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.578 ' CD2' HE22 ' B' ' 52' ' ' GLN . 42.6 mt -60.04 -40.38 89.2 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.795 -1.191 . . . . 0.0 109.046 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -60.05 -40.25 88.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.77 -1.207 . . . . 0.0 109.125 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -59.97 -39.54 86.04 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.564 -0.71 . . . . 0.0 109.626 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.578 HE22 ' CD2' ' B' ' 49' ' ' LEU . 1.6 pt20 -59.93 -38.77 83.33 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.709 -1.244 . . . . 0.0 109.013 -179.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.403 ' N ' ' HG2' ' B' ' 52' ' ' GLN . . . -58.91 -38.9 79.99 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 120.807 -1.183 . . . . 0.0 107.841 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.05 -39.6 86.52 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.305 -0.872 . . . . 0.0 109.055 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 41.1 mt -70.73 117.97 12.93 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.132 -0.98 . . . . 0.0 108.626 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -133.2 -62.7 0.79 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.4 -0.813 . . . . 0.0 110.647 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.759 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.64 117.72 4.45 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.066 -1.021 . . . . 0.0 109.672 -178.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' TRP . . . . . 0.768 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 65.5 m95 -101.3 123.74 45.88 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.418 -0.801 . . . . 0.0 110.666 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.12 23.1 76.24 Favored Glycine 0 N--CA 1.497 2.703 0 C-N-CA 120.261 -0.971 . . . . 0.0 110.824 178.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.78 24.43 0.22 Allowed 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.941 -1.329 . . . . 0.0 110.228 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.401 ' HB1' ' OE1' ' B' ' 64' ' ' GLN . . . -157.98 109.93 2.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.803 -1.186 . . . . 0.0 110.461 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.447 ' CG ' ' NE2' ' C' ' 64' ' ' GLN . 35.0 m-85 -116.64 11.71 14.76 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.208 -0.932 . . . . 0.0 109.018 178.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -137.49 23.69 2.93 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . 0.438 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 18.0 mp0 -146.58 151.94 38.13 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 t -101.04 57.3 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.075 -1.016 . . . . 0.0 108.455 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.34 158.27 42.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.623 -0.673 . . . . 0.0 109.666 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -128.33 133.71 48.75 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.578 HG23 ' O ' ' B' ' 68' ' ' THR . 9.5 t -89.37 113.24 24.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.653 -1.28 . . . . 0.0 109.653 -178.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.02 122.82 47.38 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 90.9 t -128.73 82.32 68.92 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 121.345 -0.847 . . . . 0.0 109.706 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -87.08 61.43 4.05 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 C-N-CA 122.993 2.462 . . . . 0.0 111.199 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' B' ' 73' ' ' PRO . 17.6 t90 -70.1 129.89 90.26 Favored Pre-proline 0 C--N 1.301 -1.504 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.411 ' C ' ' O ' ' B' ' 72' ' ' TRP . 98.6 Cg_exo -41.21 147.91 0.29 Allowed 'Trans proline' 0 N--CA 1.487 1.1 0 C-N-CA 121.142 1.228 . . . . 0.0 110.887 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.585 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 10.7 t-20 -125.3 -53.16 1.61 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.247 -0.908 . . . . 0.0 109.416 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.95 125.07 34.31 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 38.8 t -81.86 107.66 14.76 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.7 mt -81.92 136.71 35.29 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.906 0.86 . . . . 0.0 110.185 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.4 ' O ' HG23 ' B' ' 78' ' ' THR . 1.8 t -94.12 112.84 58.94 Favored Pre-proline 0 N--CA 1.492 1.641 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -87.16 -47.66 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.169 0 C-N-CA 121.683 1.589 . . . . 0.0 114.475 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -121.23 -44.43 2.38 Favored 'General case' 0 N--CA 1.509 2.501 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -176.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.589 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -60.07 -45.75 91.86 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.508 -1.37 . . . . 0.0 112.709 -175.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.589 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.3 t30 -74.71 -46.56 36.77 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.128 -1.608 . . . . 0.0 110.583 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -60.08 -50.08 75.11 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.299 -0.876 . . . . 0.0 110.909 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.68 -45.16 95.21 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.789 -1.194 . . . . 0.0 109.284 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.8 p -68.36 -40.07 81.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.213 -0.93 . . . . 0.0 109.918 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -66.27 -40.07 89.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.046 -1.034 . . . . 0.0 109.211 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -60.0 -41.19 91.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.784 -1.198 . . . . 0.0 108.72 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.33 -40.0 96.09 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.16 -0.962 . . . . 0.0 108.527 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.546 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 72.6 t90 -60.06 -49.91 75.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.399 -0.813 . . . . 0.0 109.443 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -62.49 -42.35 99.44 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.063 -1.023 . . . . 0.0 109.73 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.484 HH11 ' HG2' ' B' ' 91' ' ' ARG . 0.9 OUTLIER -60.93 -42.46 98.21 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.121 -0.987 . . . . 0.0 110.247 -179.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -59.96 -42.46 94.13 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.83 -1.169 . . . . 0.0 109.615 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.27 -41.7 90.66 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.384 -0.823 . . . . 0.0 108.941 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.01 -45.1 93.86 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.229 -0.919 . . . . 0.0 109.874 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -61.46 -42.32 98.58 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.722 -1.236 . . . . 0.0 109.642 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.28 -40.11 89.86 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.073 -1.017 . . . . 0.0 109.46 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . 0.416 ' O ' HG23 ' B' ' 101' ' ' THR . 98.8 mt-10 -64.69 -40.06 94.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.045 -1.035 . . . . 0.0 109.846 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.39 -40.1 77.58 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.055 -1.028 . . . . 0.0 109.75 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.581 HD22 ' NH1' ' A' ' 23' ' ' ARG . 96.7 m-20 -67.16 -39.95 86.58 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.935 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.9 mt -66.32 -40.2 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.25 -0.906 . . . . 0.0 109.344 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . 0.416 HG23 ' O ' ' B' ' 97' ' ' GLU . 24.3 p -62.55 -41.42 98.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.242 -0.911 . . . . 0.0 109.77 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.61 96.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.219 -0.926 . . . . 0.0 109.778 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.79 -40.61 92.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.125 -0.984 . . . . 0.0 109.524 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.38 -40.97 96.86 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.095 -1.003 . . . . 0.0 108.998 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.16 -49.82 76.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.466 -0.771 . . . . 0.0 109.388 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.09 -41.23 99.35 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.086 -1.008 . . . . 0.0 108.952 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.9 79.73 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.341 -0.849 . . . . 0.0 109.722 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.09 -45.7 92.05 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.171 -0.955 . . . . 0.0 109.599 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.09 -49.28 84.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.219 -0.926 . . . . 0.0 109.13 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -67.94 -40.08 83.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.071 -1.018 . . . . 0.0 110.366 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -59.93 -44.88 94.08 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.283 -0.885 . . . . 0.0 109.937 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -66.01 -40.31 91.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.001 -1.062 . . . . 0.0 109.376 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -66.04 -40.27 90.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.108 -0.995 . . . . 0.0 109.536 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -62.48 -42.04 99.21 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.113 -0.992 . . . . 0.0 109.864 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 26.2 ttt -68.9 -39.94 79.45 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.129 -0.982 . . . . 0.0 108.689 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -60.34 -49.14 78.78 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.439 -0.788 . . . . 0.0 109.475 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.02 -40.12 88.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.245 -0.91 . . . . 0.0 109.103 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.01 -42.28 93.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.25 -0.906 . . . . 0.0 109.606 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.6 mt-30 -61.76 -40.07 93.84 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.096 -1.002 . . . . 0.0 109.845 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.18 -39.64 87.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.149 -0.969 . . . . 0.0 109.512 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.21 -49.2 77.88 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -121.35 59.91 0.95 Allowed 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.436 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.215 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . 0.523 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 85.0 mt-30 -69.28 145.01 53.43 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.037 -1.039 . . . . 0.0 109.907 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 7.0 m -89.21 62.82 6.32 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.327 -0.858 . . . . 0.0 108.827 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.09 -40.07 94.61 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.617 -0.677 . . . . 0.0 109.315 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.517 HG23 ' N ' ' C' ' 6' ' ' LEU . 12.8 t -60.23 -42.22 94.78 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.269 -0.894 . . . . 0.0 109.013 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.517 ' N ' HG23 ' C' ' 5' ' ' THR . 64.4 tp -61.71 -40.91 96.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.106 -0.996 . . . . 0.0 108.367 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.01 -39.22 93.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.594 -0.692 . . . . 0.0 109.291 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -41.68 92.25 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.51 -46.63 75.62 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 108.797 -1.721 . . . . 0.0 108.797 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.17 -50.04 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.383 -1.069 . . . . 0.0 109.409 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 69.6 t -60.17 -44.42 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.115 -0.99 . . . . 0.0 108.903 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.02 -40.13 92.42 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.651 -0.656 . . . . 0.0 109.329 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.18 -41.88 93.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.864 . . . . 0.0 109.341 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.28 -40.66 91.2 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.146 -0.971 . . . . 0.0 109.465 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.14 -43.63 95.57 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.15 -0.969 . . . . 0.0 108.52 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -61.61 -46.08 91.35 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.254 -0.903 . . . . 0.0 109.545 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.18 -43.77 95.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.305 -0.872 . . . . 0.0 109.202 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.05 -45.09 94.0 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.395 -0.816 . . . . 0.0 108.988 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -60.42 -47.22 87.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.918 . . . . 0.0 109.543 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 78.8 t -59.97 -40.34 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.057 -1.027 . . . . 0.0 109.766 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.17 -42.03 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 120.897 -1.127 . . . . 0.0 108.542 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -60.47 -40.17 90.28 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.533 ' NH1' HD22 ' A' ' 99' ' ' ASN . 31.0 mmt180 -60.27 -40.48 90.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.235 -0.916 . . . . 0.0 108.948 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.93 -40.13 92.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.217 -0.927 . . . . 0.0 109.575 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -59.91 -49.61 77.0 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.13 -0.981 . . . . 0.0 109.118 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.4 -44.47 95.66 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.323 -0.86 . . . . 0.0 109.314 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.6 tp -62.04 -40.97 97.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.38 -0.825 . . . . 0.0 109.448 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.01 -40.64 89.95 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.238 -0.913 . . . . 0.0 109.537 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' C' ' 29' ' ' ARG . 54.7 mtt-85 -60.97 -40.54 93.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.114 -0.991 . . . . 0.0 109.541 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.526 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 86.1 mt -61.77 -40.69 96.05 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.146 -0.972 . . . . 0.0 109.864 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.5 p -65.9 -40.03 91.13 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.14 -0.975 . . . . 0.0 109.493 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.55 -40.08 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.153 -0.967 . . . . 0.0 109.215 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -59.93 -44.15 94.52 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.361 -0.837 . . . . 0.0 109.923 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.29 -49.61 76.66 Favored Glycine 0 N--CA 1.485 1.923 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.1 -49.83 76.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.173 -1.192 . . . . 0.0 110.218 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -61.6 -40.22 94.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.976 -1.078 . . . . 0.0 110.057 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.522 HD21 HH21 ' C' ' 41' ' ' ARG . 41.0 t30 -60.38 -40.48 91.01 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.3 -0.875 . . . . 0.0 109.715 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.15 -40.2 92.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.346 -0.846 . . . . 0.0 109.368 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -60.3 -42.0 94.61 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.93 . . . . 0.0 109.585 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 68.1 p -60.14 -40.84 91.21 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.943 -1.098 . . . . 0.0 108.557 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.522 HH21 HD21 ' C' ' 37' ' ' ASN . 44.3 mtt-85 -67.47 -40.05 85.3 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.94 -41.58 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 119.751 -0.78 . . . . 0.0 108.986 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 74.8 p -59.98 -40.85 90.53 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.118 -0.989 . . . . 0.0 109.277 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.93 96.3 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.079 -1.013 . . . . 0.0 108.466 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.4 mt -61.62 -36.63 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.622 -0.674 . . . . 0.0 109.766 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.25 -40.49 90.47 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 108.657 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -64.25 -42.75 96.36 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.034 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 59.0 m-85 -67.72 -39.81 84.28 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.168 -0.958 . . . . 0.0 110.31 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . 0.577 ' CD2' HE22 ' C' ' 52' ' ' GLN . 43.9 mt -60.04 -40.62 90.04 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.662 -1.274 . . . . 0.0 109.054 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -60.21 -39.98 88.53 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.703 -1.248 . . . . 0.0 109.035 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.26 -39.63 87.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.352 -0.842 . . . . 0.0 109.746 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.577 HE22 ' CD2' ' C' ' 49' ' ' LEU . 1.6 pt20 -59.8 -38.26 81.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.97 -1.081 . . . . 0.0 108.946 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . 0.401 ' N ' ' HG2' ' C' ' 52' ' ' GLN . . . -59.32 -39.21 82.37 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.04 -39.56 86.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.335 -0.853 . . . . 0.0 108.906 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -70.82 117.95 12.98 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.131 -0.98 . . . . 0.0 108.599 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -133.17 -62.56 0.79 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.279 -0.888 . . . . 0.0 110.528 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . 0.768 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -154.7 117.64 4.41 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.158 -0.964 . . . . 0.0 109.98 -178.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 58' ' ' TRP . . . . . 0.752 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 63.6 m95 -101.25 123.68 45.74 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.342 -0.849 . . . . 0.0 110.874 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.92 23.31 75.93 Favored Glycine 0 N--CA 1.493 2.5 0 C-N-CA 120.079 -1.057 . . . . 0.0 110.661 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.73 24.22 0.22 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.763 -1.434 . . . . 0.0 110.04 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.74 110.48 2.42 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.836 -1.165 . . . . 0.0 110.442 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 62' ' ' PHE . . . . . 0.405 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 36.8 m-85 -117.04 11.78 14.35 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 121.335 -0.853 . . . . 0.0 109.338 177.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -137.8 24.05 2.85 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 177.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . 0.447 ' NE2' ' CG ' ' B' ' 62' ' ' PHE . 18.0 mp0 -146.39 152.0 38.37 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 t -101.29 57.28 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.947 -1.095 . . . . 0.0 108.105 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.27 158.29 42.6 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.627 -0.671 . . . . 0.0 109.695 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -128.52 133.84 48.52 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.597 ' O ' HG23 ' C' ' 68' ' ' THR . 9.0 t -89.47 113.18 24.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.634 -1.291 . . . . 0.0 109.624 -178.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.78 122.81 47.52 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.81 82.91 67.72 Favored Pre-proline 0 N--CA 1.496 1.825 0 O-C-N 121.362 -0.837 . . . . 0.0 109.481 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -87.52 61.49 3.71 Favored 'Trans proline' 0 C--N 1.314 -1.286 0 C-N-CA 122.845 2.363 . . . . 0.0 111.35 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -69.92 129.7 90.71 Favored Pre-proline 0 C--N 1.301 -1.528 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -41.11 147.98 0.26 Allowed 'Trans proline' 0 N--CA 1.488 1.181 0 C-N-CA 121.255 1.303 . . . . 0.0 110.92 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.57 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 10.6 t-20 -125.42 -53.33 1.59 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.259 -0.901 . . . . 0.0 109.274 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.63 125.14 34.2 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.047 -1.033 . . . . 0.0 108.216 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 40.7 t -82.02 107.2 14.54 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 28.4 mt -81.87 136.3 35.36 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.776 0.798 . . . . 0.0 110.222 -178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -93.73 113.09 59.47 Favored Pre-proline 0 C--N 1.299 -1.612 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -87.61 -48.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.138 0 C-N-CA 121.786 1.657 . . . . 0.0 114.41 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -120.7 -45.1 2.41 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.03 -1.044 . . . . 0.0 113.47 -177.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.586 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.1 p90 -59.74 -45.38 92.37 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.419 -1.426 . . . . 0.0 112.747 -175.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.586 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.4 t30 -74.95 -46.69 33.88 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.018 -1.677 . . . . 0.0 110.71 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -60.03 -50.44 73.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 110.845 -178.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.38 -44.71 95.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.877 -1.139 . . . . 0.0 109.256 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 46.6 p -68.77 -40.04 79.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.162 -0.962 . . . . 0.0 109.747 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -66.45 -39.85 89.11 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.873 -1.142 . . . . 0.0 109.386 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -60.07 -40.82 90.85 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.685 -1.259 . . . . 0.0 108.847 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.2 -40.0 96.25 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.123 -0.986 . . . . 0.0 108.721 178.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.526 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 72.8 t90 -60.03 -49.84 76.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.422 -0.798 . . . . 0.0 109.524 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -62.37 -42.62 99.55 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.246 -0.909 . . . . 0.0 109.511 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . 0.491 HH11 ' HG2' ' C' ' 91' ' ' ARG . 1.0 OUTLIER -61.25 -42.38 98.53 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.253 -0.904 . . . . 0.0 110.174 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.14 -42.83 95.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.653 -1.279 . . . . 0.0 109.445 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.76 -41.73 89.56 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.165 -0.959 . . . . 0.0 109.077 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.96 -45.5 92.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.13 -0.981 . . . . 0.0 109.988 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -61.02 -42.43 98.45 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.867 -1.146 . . . . 0.0 109.66 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.08 -40.2 90.66 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.194 -0.941 . . . . 0.0 109.421 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.81 -40.23 94.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.959 -1.088 . . . . 0.0 109.895 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.14 -39.95 78.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.929 . . . . 0.0 109.738 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . 0.503 HD22 ' NH1' ' B' ' 23' ' ' ARG . 96.8 m-20 -67.48 -40.04 85.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.05 -1.031 . . . . 0.0 109.831 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 89.6 mt -65.97 -40.03 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 120.986 -1.071 . . . . 0.0 109.413 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 24.2 p -62.84 -41.64 99.43 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.049 -1.032 . . . . 0.0 109.884 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.89 96.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.329 -0.857 . . . . 0.0 109.533 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.43 -40.45 93.31 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.085 -1.009 . . . . 0.0 109.626 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.35 -41.26 96.84 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.296 -0.878 . . . . 0.0 108.941 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.21 -49.71 76.56 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.326 -0.859 . . . . 0.0 109.507 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.84 -41.58 99.39 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.134 -0.979 . . . . 0.0 108.916 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . 0.431 ' HA ' HE22 ' B' ' 13' ' ' GLN . . . -60.36 -48.7 80.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.43 -0.794 . . . . 0.0 109.833 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.22 -45.6 92.65 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.256 -0.902 . . . . 0.0 109.617 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.6 mt -60.11 -49.51 83.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 121.419 -0.8 . . . . 0.0 109.242 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -67.9 -39.93 83.53 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.461 -0.775 . . . . 0.0 110.261 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -60.04 -44.97 94.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.175 -0.953 . . . . 0.0 109.973 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.92 -39.99 91.06 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.055 -1.028 . . . . 0.0 109.397 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -66.52 -39.97 88.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.334 -0.854 . . . . 0.0 109.856 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -62.63 -42.04 99.37 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.318 -0.864 . . . . 0.0 109.806 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 26.3 ttt -68.79 -40.4 79.64 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.017 -1.052 . . . . 0.0 108.599 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -60.06 -48.68 80.71 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.613 -0.68 . . . . 0.0 109.574 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.28 -40.0 88.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.487 -0.758 . . . . 0.0 109.42 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.09 -41.89 93.49 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.379 -0.826 . . . . 0.0 109.481 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.4 mt-30 -62.16 -40.51 96.25 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.941 -1.099 . . . . 0.0 109.766 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -60.09 -38.98 84.55 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.272 -0.893 . . . . 0.0 109.452 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 89.6 mt -58.61 -48.78 79.81 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -121.87 60.07 0.98 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.428 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.3 t . . . . . 0 N--CA 1.496 1.86 0 O-C-N 120.989 -1.069 . . . . 0.0 109.276 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.333 0.587 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.59 144.43 53.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.429 -0.795 . . . . 0.0 109.563 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -89.32 59.47 4.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.27 -0.894 . . . . 0.0 109.238 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -63.48 -39.96 95.84 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.434 -0.792 . . . . 0.0 109.132 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.523 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.8 t -59.95 -43.83 94.76 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.364 -0.835 . . . . 0.0 109.595 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.523 ' N ' HG23 ' A' ' 5' ' ' THR . 61.8 tp -62.6 -42.37 99.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.979 -1.075 . . . . 0.0 108.592 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.3 mt -60.76 -39.95 90.68 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.508 -0.745 . . . . 0.0 110.255 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.06 -1.025 . . . . 0.0 108.564 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.87 -45.4 57.81 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -49.61 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.283 -1.128 . . . . 0.0 109.963 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.05 -42.5 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 120.846 -1.159 . . . . 0.0 108.494 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -61.06 -40.01 92.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.375 -0.828 . . . . 0.0 109.893 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -59.98 -41.87 92.97 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.259 -0.9 . . . . 0.0 109.386 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.425 ' HG3' HE21 ' B' ' 14' ' ' GLN . 96.7 mt-30 -61.91 -40.62 96.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.119 -0.988 . . . . 0.0 109.066 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.15 -43.79 95.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.34 -0.85 . . . . 0.0 109.173 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.9 -42.63 98.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.346 -0.846 . . . . 0.0 108.942 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.5 mt -64.28 -40.9 96.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.351 -0.843 . . . . 0.0 109.688 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.3 -41.74 97.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.176 -0.953 . . . . 0.0 108.676 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -60.04 -49.99 75.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.169 -0.957 . . . . 0.0 109.948 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.4 t -59.96 -41.18 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.172 -0.955 . . . . 0.0 109.948 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.02 -42.74 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.24 -0.913 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.424 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 86.5 tttt -61.76 -41.25 97.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.6 -0.687 . . . . 0.0 109.472 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.418 ' HE ' HD11 ' B' ' 103' ' ' LEU . 54.8 mtt-85 -61.42 -39.98 92.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.417 -0.802 . . . . 0.0 109.961 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.97 -39.97 87.47 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.117 -0.989 . . . . 0.0 108.958 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -60.05 -49.7 76.61 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.063 -1.023 . . . . 0.0 109.718 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' A' ' 22' ' ' LYS . 2.7 mp0 -64.37 -41.46 96.71 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.682 -1.261 . . . . 0.0 109.315 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.451 HD23 HD13 ' B' ' 28' ' ' LEU . 31.2 tp -60.47 -40.7 92.17 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.354 -0.841 . . . . 0.0 109.04 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.442 HD13 HD23 ' C' ' 27' ' ' LEU . 19.4 mt -59.91 -40.37 88.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.453 -0.78 . . . . 0.0 109.271 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.22 -39.99 92.31 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.165 -0.959 . . . . 0.0 109.328 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.548 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 85.4 mt -62.46 -40.63 97.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.16 -0.963 . . . . 0.0 109.403 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.9 p -63.85 -39.93 95.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.985 -1.072 . . . . 0.0 109.328 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.26 -40.08 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.38 -0.825 . . . . 0.0 109.474 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -59.99 -47.2 86.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.382 -0.824 . . . . 0.0 110.512 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.49 -50.25 68.72 Favored Glycine 0 N--CA 1.487 2.044 0 C-N-CA 119.37 -1.395 . . . . 0.0 110.042 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.19 -50.02 75.31 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.954 -1.321 . . . . 0.0 109.913 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -61.16 -39.53 90.47 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.234 -0.916 . . . . 0.0 109.141 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.612 HD21 HH22 ' A' ' 41' ' ' ARG . 58.0 t-20 -59.82 -39.68 85.9 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -59.84 -39.9 86.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.005 -1.059 . . . . 0.0 108.816 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.01 -40.02 87.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.955 -1.091 . . . . 0.0 109.284 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.7 p -59.93 -40.1 87.76 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.715 -1.241 . . . . 0.0 108.828 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.638 HH12 ' ND2' ' B' ' 82' ' ' ASN . 23.3 mtt-85 -62.6 -40.18 96.13 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.581 179.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.5 t -60.03 -41.82 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.608 -0.683 . . . . 0.0 109.273 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.6 p -59.98 -40.12 88.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.019 -1.05 . . . . 0.0 109.665 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.69 -40.04 84.4 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.35 -1.469 . . . . 0.0 108.559 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.52 -39.99 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.709 -0.619 . . . . 0.0 110.284 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -39.82 87.02 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 -179.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.14 -48.62 80.97 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.595 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 51.6 m-85 -61.43 -39.94 92.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.393 -0.817 . . . . 0.0 109.957 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.5 ' C ' HD22 ' A' ' 74' ' ' ASN . 53.9 mt -60.03 -39.27 85.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.934 -1.104 . . . . 0.0 108.734 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.09 -39.88 87.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.075 -1.016 . . . . 0.0 108.551 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.96 -39.89 87.18 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.07 -1.019 . . . . 0.0 109.32 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.511 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.9 OUTLIER -59.98 -39.58 86.2 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.952 -1.093 . . . . 0.0 109.182 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.27 -37.49 77.77 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.982 -1.074 . . . . 0.0 108.733 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.98 -39.61 86.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.225 -0.922 . . . . 0.0 108.647 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 61.2 mt -73.57 112.56 9.77 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.012 -1.055 . . . . 0.0 109.079 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.649 HD22 ' H ' ' A' ' 70' ' ' VAL . 66.8 m-80 -134.0 -69.57 0.53 Allowed 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.465 -0.772 . . . . 0.0 109.428 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.61 88.04 1.47 Allowed 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.442 ' C ' ' H ' ' A' ' 60' ' ' ALA . 56.4 m95 -104.38 149.98 24.91 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.489 -0.757 . . . . 0.0 111.047 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 53.85 8.53 0.99 Allowed Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.482 ' HA ' ' HB1' ' B' ' 60' ' ' ALA . . . -72.73 22.94 0.06 Allowed 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.14 -1.212 . . . . 0.0 109.071 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.524 ' HB1' ' NE2' ' A' ' 64' ' ' GLN . . . -156.46 108.01 2.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.042 -1.036 . . . . 0.0 109.672 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -102.34 12.49 36.53 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.265 -0.897 . . . . 0.0 110.11 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.681 ' NE ' HH21 ' C' ' 63' ' ' ARG . 30.1 mmt180 -120.24 23.73 10.79 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 177.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.524 ' NE2' ' HB1' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -149.43 152.17 35.25 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.399 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.9 t -107.68 61.12 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.075 -1.016 . . . . 0.0 109.172 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.28 157.67 42.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.478 -0.764 . . . . 0.0 109.383 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -128.09 132.98 48.98 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 68' ' ' THR . 4.6 t -98.42 119.39 37.03 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.245 -0.909 . . . . 0.0 110.451 -178.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.9 121.24 43.34 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.649 ' H ' HD22 ' A' ' 56' ' ' ASN . 65.3 t -126.84 83.28 65.91 Favored Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 121.427 -0.796 . . . . 0.0 109.35 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -79.84 65.73 8.86 Favored 'Trans proline' 0 N--CA 1.489 1.216 0 C-N-CA 122.301 2.001 . . . . 0.0 111.555 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.449 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 27.4 t90 -67.74 133.94 92.38 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -38.23 149.14 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.553 1.502 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.568 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 33.9 t-20 -127.61 -60.48 1.17 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.241 -0.912 . . . . 0.0 109.424 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.05 124.99 34.82 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.064 -1.023 . . . . 0.0 108.345 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.4 t -81.1 105.51 12.37 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.765 -1.209 . . . . 0.0 107.949 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.5 mt -82.18 136.57 35.1 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.477 0.656 . . . . 0.0 109.91 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 78' ' ' THR . 10.1 t -90.02 113.86 58.72 Favored Pre-proline 0 C--N 1.301 -1.512 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -90.27 -49.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 121.544 1.496 . . . . 0.0 114.487 -178.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -121.37 -44.7 2.36 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.235 -0.915 . . . . 0.0 113.206 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.685 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.8 p90 -59.99 -53.67 55.09 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.449 -1.407 . . . . 0.0 112.407 -176.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.685 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 6.1 t-20 -79.06 -39.98 32.44 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.128 -1.608 . . . . 0.0 109.914 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.08 -47.32 86.39 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.253 -0.904 . . . . 0.0 109.108 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.21 -43.71 95.73 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.17 -0.956 . . . . 0.0 109.148 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 81' ' ' TRP . 74.6 p -69.35 -40.02 77.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.182 -0.949 . . . . 0.0 109.645 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -61.91 -40.63 96.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.015 -1.053 . . . . 0.0 109.489 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.03 -41.11 91.51 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.917 -1.114 . . . . 0.0 108.039 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.79 -40.01 95.63 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.52 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 65.4 t90 -59.94 -50.02 75.41 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.198 -0.938 . . . . 0.0 109.3 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.49 -41.41 97.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.031 -1.043 . . . . 0.0 109.269 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -61.78 -42.02 98.46 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.407 -0.808 . . . . 0.0 110.337 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.02 -42.99 95.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.771 -1.206 . . . . 0.0 108.814 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.4 -40.66 88.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.343 -0.848 . . . . 0.0 109.19 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -60.0 -46.48 89.33 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.251 -0.906 . . . . 0.0 110.479 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -66.45 -40.02 89.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.806 -1.184 . . . . 0.0 109.681 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.32 -42.14 79.8 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.141 -0.974 . . . . 0.0 108.976 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.79 -45.47 94.27 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.272 -0.893 . . . . 0.0 109.369 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -64.36 -40.42 95.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.249 -0.907 . . . . 0.0 109.683 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.37 -41.19 96.83 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.1 -1.0 . . . . 0.0 109.444 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.45 -44.45 98.85 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.288 -0.882 . . . . 0.0 109.798 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.8 p -62.97 -40.16 96.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.148 -0.97 . . . . 0.0 109.464 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.7 80.61 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.205 -0.934 . . . . 0.0 109.787 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.51 -41.05 98.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.111 -0.993 . . . . 0.0 109.729 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.9 -43.43 98.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.179 -0.951 . . . . 0.0 109.448 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.25 -46.99 87.87 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.215 -0.928 . . . . 0.0 108.624 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -65.56 -39.94 92.27 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.382 -0.824 . . . . 0.0 108.915 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.57 93.99 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.324 -0.86 . . . . 0.0 109.53 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -62.29 -41.53 98.58 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.017 -1.052 . . . . 0.0 109.472 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -70.02 -40.35 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.067 -1.02 . . . . 0.0 109.283 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.422 ' OE1' ' OE1' ' C' ' 13' ' ' GLN . 32.1 tt0 -70.0 -39.99 75.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.911 . . . . 0.0 109.599 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.08 -49.28 78.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.147 -0.971 . . . . 0.0 109.076 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.23 -43.1 96.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.156 -0.965 . . . . 0.0 109.381 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -60.13 -42.01 93.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.167 -0.958 . . . . 0.0 109.441 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.25 -40.02 95.15 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.052 -1.03 . . . . 0.0 109.029 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.0 ttt -68.47 -40.0 81.17 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.239 -0.913 . . . . 0.0 108.833 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -60.01 -44.42 94.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.512 -0.742 . . . . 0.0 109.751 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.56 -40.23 93.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.123 -0.986 . . . . 0.0 109.127 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.51 -43.3 97.2 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.542 -0.724 . . . . 0.0 109.565 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.3 mt-30 -60.19 -40.13 88.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -0.918 . . . . 0.0 109.731 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -60.91 -40.03 91.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.31 -0.869 . . . . 0.0 109.411 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.9 mt -59.97 -48.34 82.1 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -119.41 56.81 0.92 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 117.923 -1.037 . . . . 0.0 108.889 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -69.64 144.61 52.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.513 -0.742 . . . . 0.0 109.402 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.9 p -89.49 59.42 4.77 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.288 -0.883 . . . . 0.0 109.227 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -63.47 -39.99 95.93 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.444 -0.785 . . . . 0.0 109.206 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.523 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.9 t -60.0 -43.81 94.97 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.332 -0.855 . . . . 0.0 109.549 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.523 ' N ' HG23 ' B' ' 5' ' ' THR . 62.2 tp -62.51 -42.56 99.59 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.117 -0.989 . . . . 0.0 108.595 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 31.1 mt -60.59 -40.04 90.31 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.433 -0.792 . . . . 0.0 110.305 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.95 87.34 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.039 -1.038 . . . . 0.0 108.493 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.0 -45.32 57.47 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.039 -1.625 . . . . 0.0 109.039 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.02 -49.52 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.361 -1.082 . . . . 0.0 110.014 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 60.1 t -59.92 -42.7 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.96 -1.087 . . . . 0.0 108.541 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -61.14 -39.94 91.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.37 -0.831 . . . . 0.0 109.826 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.428 ' OE1' ' OE1' ' C' ' 110' ' ' GLN . 34.7 tp60 -60.05 -42.0 93.51 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 109.347 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.425 HE21 ' HG3' ' A' ' 14' ' ' GLN . 96.8 mt-30 -61.85 -40.71 96.27 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.098 -1.001 . . . . 0.0 109.124 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.1 -43.99 95.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.38 -0.825 . . . . 0.0 109.083 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.8 -42.49 97.72 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.223 -0.923 . . . . 0.0 108.941 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.9 mt -64.56 -40.25 95.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.297 -0.877 . . . . 0.0 109.782 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.9 -41.11 97.52 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.089 -1.007 . . . . 0.0 108.723 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.4 -50.07 75.06 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.22 -0.925 . . . . 0.0 109.909 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.91 -41.07 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.222 -0.924 . . . . 0.0 109.872 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.0 -43.48 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.152 -0.968 . . . . 0.0 109.211 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . 0.43 ' O ' ' OE1' ' B' ' 26' ' ' GLU . 86.5 tttt -60.76 -41.31 95.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.577 -0.702 . . . . 0.0 109.701 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' B' ' 23' ' ' ARG . 55.3 mtt-85 -61.6 -39.93 93.0 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.408 -0.808 . . . . 0.0 109.983 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.05 -39.91 87.6 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.207 -0.933 . . . . 0.0 108.991 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -60.0 -50.02 75.38 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.17 -0.956 . . . . 0.0 109.577 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' B' ' 22' ' ' LYS . 2.6 mp0 -63.97 -41.83 97.42 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.764 -1.21 . . . . 0.0 109.342 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.468 HD23 HD13 ' C' ' 28' ' ' LEU . 31.9 tp -60.25 -40.46 90.37 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.353 -0.842 . . . . 0.0 109.106 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.451 HD13 HD23 ' A' ' 27' ' ' LEU . 19.4 mt -60.01 -40.53 89.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.374 -0.829 . . . . 0.0 109.4 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.91 -39.99 91.47 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.149 -0.969 . . . . 0.0 109.516 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.487 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 85.1 mt -62.4 -40.8 97.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.071 -1.018 . . . . 0.0 109.458 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 74.1 p -63.97 -39.96 95.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.952 -1.092 . . . . 0.0 109.317 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.09 -40.11 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -0.833 . . . . 0.0 109.459 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -59.93 -47.47 85.67 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.327 -0.858 . . . . 0.0 110.516 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.52 -49.98 71.49 Favored Glycine 0 N--CA 1.487 2.06 0 C-N-CA 119.364 -1.398 . . . . 0.0 110.036 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.23 -50.32 74.11 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.912 -1.346 . . . . 0.0 109.859 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -60.8 -39.53 89.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.317 -0.864 . . . . 0.0 109.234 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.633 HD21 HH22 ' B' ' 41' ' ' ARG . 58.4 t-20 -60.0 -39.41 85.7 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.96 -39.93 87.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.041 -1.037 . . . . 0.0 109.023 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.96 -39.93 87.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.129 -0.982 . . . . 0.0 109.287 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 30.9 p -60.03 -40.13 88.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.776 -1.202 . . . . 0.0 108.811 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.667 HH22 ' ND2' ' C' ' 82' ' ' ASN . 23.5 mtt-85 -62.53 -40.03 95.48 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.426 -0.91 . . . . 0.0 108.625 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 65.0 t -60.22 -41.79 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 74.4 p -60.06 -40.04 88.06 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.035 -1.041 . . . . 0.0 109.56 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.87 -39.95 83.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.401 -1.437 . . . . 0.0 108.525 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.63 -39.96 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.708 -0.62 . . . . 0.0 110.266 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -39.77 86.83 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.858 -1.152 . . . . 0.0 108.256 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.01 -48.49 81.47 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.255 -0.903 . . . . 0.0 108.791 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.582 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 52.3 m-85 -61.55 -39.96 92.99 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.314 -0.866 . . . . 0.0 109.845 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.491 ' C ' HD22 ' B' ' 74' ' ' ASN . 52.9 mt -60.05 -39.28 85.42 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.012 -1.055 . . . . 0.0 108.862 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.04 -39.9 87.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.082 -1.011 . . . . 0.0 108.627 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.1 -39.82 87.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.056 -1.027 . . . . 0.0 109.232 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.501 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.9 OUTLIER -60.01 -39.69 86.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.97 -1.081 . . . . 0.0 109.139 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -59.24 -37.5 77.7 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.928 -1.107 . . . . 0.0 108.695 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.96 -39.78 86.77 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.198 -0.939 . . . . 0.0 108.617 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 60.9 mt -73.31 112.63 9.56 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.021 -1.049 . . . . 0.0 109.174 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.661 HD22 ' H ' ' B' ' 70' ' ' VAL . 67.5 m-80 -134.08 -69.64 0.53 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.369 -0.832 . . . . 0.0 109.314 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.71 88.3 1.47 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' TRP . . . . . 0.448 ' C ' ' H ' ' B' ' 60' ' ' ALA . 56.2 m95 -104.56 150.06 24.96 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.503 -0.748 . . . . 0.0 110.945 -178.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 53.72 8.46 0.92 Allowed Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.488 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -72.37 23.16 0.05 Allowed 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.188 -1.183 . . . . 0.0 109.216 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.519 ' HB1' ' NE2' ' B' ' 64' ' ' GLN . . . -156.85 107.89 2.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.183 -0.948 . . . . 0.0 109.709 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -102.19 12.55 36.55 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.188 -0.945 . . . . 0.0 110.055 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.697 HH21 ' NE ' ' C' ' 63' ' ' ARG . 30.2 mmt180 -120.3 23.63 10.81 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . 0.519 ' NE2' ' HB1' ' B' ' 61' ' ' ALA . 0.0 OUTLIER -149.38 152.18 35.33 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.498 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.6 t -107.57 60.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.13 -0.981 . . . . 0.0 109.106 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.24 157.55 42.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.301 -0.874 . . . . 0.0 109.423 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -127.8 133.03 49.43 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.412 HG23 ' O ' ' B' ' 68' ' ' THR . 4.7 t -98.4 119.43 37.08 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.203 -0.935 . . . . 0.0 110.426 -178.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.09 121.18 43.02 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.661 ' H ' HD22 ' B' ' 56' ' ' ASN . 67.7 t -126.88 83.09 66.48 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.492 -0.755 . . . . 0.0 109.367 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.73 65.59 8.87 Favored 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.438 2.092 . . . . 0.0 111.627 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.443 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 28.2 t90 -67.59 133.7 92.69 Favored Pre-proline 0 C--N 1.301 -1.507 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.42 ' C ' ' O ' ' B' ' 72' ' ' TRP . 71.3 Cg_exo -38.11 149.08 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.604 1.536 . . . . 0.0 111.124 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.595 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 33.6 t30 -127.5 -60.72 1.17 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.244 -0.91 . . . . 0.0 109.386 -178.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.9 125.23 34.85 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.025 -1.047 . . . . 0.0 108.297 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 9.8 t -81.21 105.6 12.53 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 118.665 -1.214 . . . . 0.0 107.931 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 58.7 mt -82.5 136.52 34.86 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.525 0.678 . . . . 0.0 109.854 -178.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.657 ' O ' HG23 ' B' ' 78' ' ' THR . 10.2 t -89.78 113.76 58.12 Favored Pre-proline 0 C--N 1.302 -1.496 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -90.28 -49.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.529 1.486 . . . . 0.0 114.626 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -121.4 -44.81 2.35 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.122 -0.986 . . . . 0.0 113.17 -177.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.678 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.7 p90 -59.94 -53.75 54.14 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.479 -1.388 . . . . 0.0 112.454 -176.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.678 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 6.1 t-20 -79.03 -39.84 32.95 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 119.99 -1.693 . . . . 0.0 109.899 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.0 -47.21 86.78 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.245 -0.909 . . . . 0.0 109.335 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.36 -43.7 96.27 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.105 -0.997 . . . . 0.0 109.114 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.481 HG23 ' O ' ' B' ' 81' ' ' TRP . 76.1 p -69.4 -40.0 77.6 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.217 -0.927 . . . . 0.0 109.628 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -62.02 -40.63 96.35 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.918 -1.114 . . . . 0.0 109.362 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.1 -40.98 91.53 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 118.894 -1.122 . . . . 0.0 108.19 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -63.76 -40.02 95.68 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.548 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 65.7 t90 -59.95 -50.04 75.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.172 -0.955 . . . . 0.0 109.196 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.75 -41.32 97.52 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.092 -1.005 . . . . 0.0 109.138 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -61.58 -42.27 98.61 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.411 -0.805 . . . . 0.0 110.281 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.96 -42.7 94.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.772 -1.205 . . . . 0.0 108.861 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.77 -40.5 88.86 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 121.301 -0.874 . . . . 0.0 109.206 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -59.96 -46.66 88.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.252 -0.905 . . . . 0.0 110.412 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -66.2 -40.26 90.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.908 -1.12 . . . . 0.0 109.587 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.96 -42.33 81.07 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.087 -1.008 . . . . 0.0 108.974 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.72 -45.91 92.43 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.219 -0.925 . . . . 0.0 109.3 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.85 -40.76 97.33 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.168 -0.957 . . . . 0.0 109.744 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.17 -41.12 97.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.084 -1.01 . . . . 0.0 109.466 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.49 -44.58 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.239 -0.913 . . . . 0.0 109.734 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 29.6 p -62.8 -40.49 97.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.043 -1.035 . . . . 0.0 109.462 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.95 -48.62 80.94 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.128 -0.983 . . . . 0.0 109.889 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . 0.418 HD11 ' HE ' ' A' ' 23' ' ' ARG . 96.1 mt -63.54 -41.14 98.47 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.019 -1.051 . . . . 0.0 109.649 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.85 -43.92 97.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.079 -1.013 . . . . 0.0 109.284 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.97 -46.55 89.07 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.009 -1.057 . . . . 0.0 108.75 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.66 -40.0 91.98 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.404 -0.81 . . . . 0.0 109.002 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.42 -44.69 93.85 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.36 -0.838 . . . . 0.0 109.51 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.22 -41.62 98.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.063 -1.023 . . . . 0.0 109.561 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.0 -40.53 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.025 -1.047 . . . . 0.0 109.235 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -69.67 -40.0 76.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.385 -0.822 . . . . 0.0 109.508 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -59.96 -49.76 76.42 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.129 -0.982 . . . . 0.0 109.085 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.91 -43.23 94.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.119 -0.988 . . . . 0.0 109.515 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -60.06 -41.59 92.71 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.248 -0.908 . . . . 0.0 109.528 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.7 -40.0 94.62 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.203 -0.936 . . . . 0.0 108.884 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 26.9 ttt -68.43 -39.97 81.35 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.32 -0.862 . . . . 0.0 108.768 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -60.06 -44.31 94.79 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.366 -0.834 . . . . 0.0 109.848 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.67 -40.22 94.2 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.074 -1.016 . . . . 0.0 109.074 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.54 -43.1 97.58 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.361 -0.837 . . . . 0.0 109.467 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.4 mt-30 -60.51 -40.07 90.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.236 -0.915 . . . . 0.0 109.723 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -60.65 -40.04 90.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.284 -0.885 . . . . 0.0 109.333 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.94 -48.49 81.5 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -119.41 56.91 0.91 Allowed 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.502 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.778 0 O-C-N 121.034 -1.041 . . . . 0.0 108.787 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -69.77 144.62 52.64 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.35 -0.844 . . . . 0.0 109.397 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 51.3 p -89.48 59.52 4.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.332 -0.855 . . . . 0.0 109.343 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -63.64 -39.99 95.75 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.418 -0.801 . . . . 0.0 109.113 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.512 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.9 t -60.03 -43.47 95.28 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.379 -0.825 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.512 ' N ' HG23 ' C' ' 5' ' ' THR . 61.6 tp -62.88 -41.99 99.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.064 -1.022 . . . . 0.0 108.676 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.6 mt -61.09 -39.96 91.9 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.481 -0.762 . . . . 0.0 110.163 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.1 87.79 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.96 -1.088 . . . . 0.0 108.622 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.58 -45.61 58.57 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.06 -49.39 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.36 -1.082 . . . . 0.0 109.952 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.0 -42.74 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.837 -1.164 . . . . 0.0 108.58 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -61.16 -39.9 91.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.482 -0.761 . . . . 0.0 109.908 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . 0.422 ' OE1' ' OE1' ' A' ' 110' ' ' GLN . 34.6 tp60 -60.0 -42.0 93.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.341 -0.849 . . . . 0.0 109.397 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . 0.424 HE21 ' HG3' ' B' ' 14' ' ' GLN . 96.8 mt-30 -61.77 -40.89 96.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.099 -1.001 . . . . 0.0 109.193 179.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.09 -43.61 95.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.405 -0.809 . . . . 0.0 109.141 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.92 -42.33 97.89 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.189 -0.944 . . . . 0.0 109.043 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.84 -40.25 94.86 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.296 -0.878 . . . . 0.0 109.654 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.8 -41.7 98.08 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.908 -1.12 . . . . 0.0 108.61 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.05 -50.03 75.31 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.282 -0.886 . . . . 0.0 109.974 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 69.7 t -59.99 -41.03 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.187 -0.946 . . . . 0.0 109.785 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -43.61 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.296 -0.878 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . 0.428 ' O ' ' OE1' ' C' ' 26' ' ' GLU . 86.6 tttt -60.61 -41.81 95.54 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.533 -0.729 . . . . 0.0 109.608 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.413 HH11 ' HG2' ' C' ' 23' ' ' ARG . 55.5 mtt-85 -61.06 -40.03 92.12 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.324 -0.86 . . . . 0.0 109.921 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.95 -40.07 87.72 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.185 -0.947 . . . . 0.0 108.967 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -59.94 -50.06 75.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.121 -0.987 . . . . 0.0 109.713 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' C' ' 22' ' ' LYS . 2.8 mp0 -63.91 -41.5 97.66 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.744 -1.222 . . . . 0.0 109.439 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . 0.442 HD23 HD13 ' A' ' 28' ' ' LEU . 31.0 tp -60.67 -40.14 91.01 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.365 -0.835 . . . . 0.0 109.048 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . 0.468 HD13 HD23 ' B' ' 27' ' ' LEU . 19.3 mt -60.25 -40.61 90.9 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.392 -0.818 . . . . 0.0 109.326 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.93 -39.94 91.35 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.28 -0.887 . . . . 0.0 109.431 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.52 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 84.9 mt -62.66 -40.45 97.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.269 -0.894 . . . . 0.0 109.507 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.0 p -64.01 -39.98 95.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.104 -0.997 . . . . 0.0 109.213 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.11 -40.1 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.334 -0.854 . . . . 0.0 109.414 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -59.99 -47.5 85.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.381 -0.824 . . . . 0.0 110.514 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.22 -50.38 66.92 Favored Glycine 0 N--CA 1.486 2.029 0 C-N-CA 119.369 -1.396 . . . . 0.0 110.082 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.17 -50.0 75.41 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.074 -1.25 . . . . 0.0 109.917 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -61.08 -39.61 90.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.365 -0.835 . . . . 0.0 109.061 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.641 HD21 HH22 ' C' ' 41' ' ' ARG . 58.0 t-20 -59.9 -39.69 86.23 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -59.89 -39.82 86.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.095 -1.003 . . . . 0.0 108.936 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.03 -39.95 87.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.0 109.159 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 31.0 p -59.94 -40.3 88.49 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.808 -1.182 . . . . 0.0 108.99 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.648 HH12 ' ND2' ' A' ' 82' ' ' ASN . 23.5 mtt-85 -62.35 -40.01 94.97 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.147 -0.971 . . . . 0.0 108.53 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 64.0 t -60.23 -41.59 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.654 -0.654 . . . . 0.0 109.337 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 72.2 p -60.24 -39.91 88.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.068 -1.02 . . . . 0.0 109.654 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.95 -40.02 83.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.468 -1.395 . . . . 0.0 108.338 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.53 -39.95 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.684 -0.635 . . . . 0.0 110.332 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -39.78 87.18 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.964 -1.085 . . . . 0.0 108.217 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.96 -48.41 81.83 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.195 -0.94 . . . . 0.0 108.775 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.568 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 51.6 m-85 -61.71 -39.98 93.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.36 -0.837 . . . . 0.0 109.838 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . 0.5 ' C ' HD22 ' C' ' 74' ' ' ASN . 53.4 mt -60.01 -39.21 85.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.955 -1.09 . . . . 0.0 108.809 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.04 -39.96 87.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.102 -0.998 . . . . 0.0 108.522 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.05 -39.89 87.57 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.163 -0.96 . . . . 0.0 109.206 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.503 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.9 OUTLIER -60.03 -39.5 86.11 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.012 -1.055 . . . . 0.0 109.13 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -59.32 -37.4 77.69 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.833 -1.167 . . . . 0.0 108.736 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.98 -39.62 86.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.303 -0.873 . . . . 0.0 108.76 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 62.3 mt -73.51 112.68 9.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.032 -1.043 . . . . 0.0 108.989 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . 0.67 HD22 ' H ' ' C' ' 70' ' ' VAL . 67.4 m-80 -134.18 -69.74 0.52 Allowed 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.259 -0.901 . . . . 0.0 109.18 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.58 88.14 1.47 Allowed 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 58' ' ' TRP . . . . . 0.44 ' C ' ' N ' ' C' ' 60' ' ' ALA . 57.4 m95 -104.24 149.82 24.96 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.472 -0.768 . . . . 0.0 111.019 -178.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . 0.516 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 53.98 8.46 1.03 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 178.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . 0.488 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -72.61 22.64 0.06 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.263 -1.14 . . . . 0.0 109.15 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 61' ' ' ALA . . . . . 0.516 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.19 108.15 2.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.094 -1.004 . . . . 0.0 109.71 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -102.35 12.54 36.44 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.271 -0.893 . . . . 0.0 110.232 179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . 0.697 ' NE ' HH21 ' B' ' 63' ' ' ARG . 30.3 mmt180 -120.29 23.65 10.81 Favored 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 177.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . 0.503 HE21 ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -149.38 152.18 35.34 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.483 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 t -107.51 61.03 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.104 -0.997 . . . . 0.0 109.152 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.15 157.75 43.1 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.411 -0.805 . . . . 0.0 109.402 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -128.05 133.03 49.04 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.414 HG23 ' O ' ' C' ' 68' ' ' THR . 4.6 t -98.43 119.45 37.15 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.237 -0.914 . . . . 0.0 110.355 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.13 121.06 42.62 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.67 ' H ' HD22 ' C' ' 56' ' ' ASN . 67.7 t -126.81 83.05 66.36 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.378 -0.826 . . . . 0.0 109.384 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.61 65.59 8.86 Favored 'Trans proline' 0 N--CA 1.489 1.262 0 C-N-CA 122.43 2.087 . . . . 0.0 111.655 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.444 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 27.3 t90 -67.59 133.8 92.69 Favored Pre-proline 0 C--N 1.301 -1.541 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.429 ' C ' ' O ' ' C' ' 72' ' ' TRP . 70.7 Cg_exo -38.15 149.27 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 121.462 1.441 . . . . 0.0 111.116 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.582 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 34.1 t30 -127.51 -60.83 1.16 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.274 -0.891 . . . . 0.0 109.476 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.89 125.29 34.87 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.0 t -81.39 105.58 12.68 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.016 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 58.5 mt -82.22 136.48 35.08 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.599 0.714 . . . . 0.0 109.864 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.655 HG23 ' O ' ' C' ' 78' ' ' THR . 10.2 t -89.98 114.11 59.61 Favored Pre-proline 0 C--N 1.301 -1.506 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.36 -49.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.106 0 C-N-CA 121.781 1.654 . . . . 0.0 114.642 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -121.66 -44.65 2.33 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.353 -0.842 . . . . 0.0 113.158 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.685 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.7 p90 -59.91 -54.14 49.6 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.472 -1.392 . . . . 0.0 112.347 -176.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.685 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 6.1 t-20 -78.8 -39.94 34.36 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.022 -1.674 . . . . 0.0 109.939 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.04 -47.21 86.78 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.235 -0.916 . . . . 0.0 109.234 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.5 -43.61 96.85 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.032 -1.043 . . . . 0.0 109.078 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.477 HG23 ' O ' ' C' ' 81' ' ' TRP . 77.0 p -69.3 -40.07 77.9 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.148 -0.97 . . . . 0.0 109.59 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -61.99 -40.89 97.18 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.051 -1.031 . . . . 0.0 109.474 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.0 -40.94 90.91 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -63.64 -39.99 95.74 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.487 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 65.9 t90 -60.04 -50.01 75.41 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 0.0 109.288 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.71 -41.19 97.28 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.916 -1.115 . . . . 0.0 109.364 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -61.84 -41.94 98.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.581 -0.699 . . . . 0.0 110.283 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.06 -43.17 95.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.717 -1.239 . . . . 0.0 108.768 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.28 -40.51 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.389 -0.819 . . . . 0.0 109.27 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -60.02 -46.94 87.85 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.21 -0.931 . . . . 0.0 110.363 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -66.05 -40.18 90.74 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.852 -1.155 . . . . 0.0 109.674 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 92.0 mt -68.18 -42.24 80.27 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.349 -0.94 . . . . 0.0 108.906 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.79 -45.79 93.01 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.231 -0.918 . . . . 0.0 109.399 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.0 -40.67 96.88 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.225 -0.922 . . . . 0.0 109.702 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.94 -41.45 97.6 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.174 -0.953 . . . . 0.0 109.465 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.39 -44.38 98.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 121.323 -0.861 . . . . 0.0 109.804 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 27.2 p -63.11 -40.25 97.07 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.003 -1.06 . . . . 0.0 109.413 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.89 79.84 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.244 -0.91 . . . . 0.0 109.752 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.31 -41.23 98.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.051 -1.03 . . . . 0.0 109.693 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.82 -43.91 97.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.082 -1.011 . . . . 0.0 109.372 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.98 -46.82 88.21 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.04 -1.038 . . . . 0.0 108.676 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.59 -39.96 92.18 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.317 -0.865 . . . . 0.0 109.03 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.77 94.28 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.258 -0.901 . . . . 0.0 109.559 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.12 -41.62 98.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.996 -1.065 . . . . 0.0 109.624 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.02 -40.32 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.259 -0.901 . . . . 0.0 109.367 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . 0.428 ' OE1' ' OE1' ' B' ' 13' ' ' GLN . 32.3 tt0 -69.9 -39.98 75.9 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.364 -0.835 . . . . 0.0 109.558 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -60.14 -49.38 77.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -0.914 . . . . 0.0 109.066 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.18 -43.39 95.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.128 -0.983 . . . . 0.0 109.321 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -59.96 -41.69 92.46 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.228 -0.92 . . . . 0.0 109.474 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.51 -40.12 95.05 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.034 -1.041 . . . . 0.0 108.91 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.0 ttt -68.45 -39.97 81.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.301 -0.875 . . . . 0.0 108.737 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -59.98 -44.58 94.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.342 -0.849 . . . . 0.0 109.711 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.32 -40.2 93.35 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.087 -1.008 . . . . 0.0 109.17 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.67 -42.91 98.03 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.333 -0.855 . . . . 0.0 109.618 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.4 mt-30 -60.55 -40.69 92.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.873 . . . . 0.0 109.54 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -60.02 -40.02 87.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.25 -0.906 . . . . 0.0 109.695 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.98 -48.4 81.86 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -119.53 57.03 0.92 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.51 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 O-C-N 121.031 -1.043 . . . . 0.0 108.888 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.192 0.52 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 96.5 mt-30 -73.77 144.44 45.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.151 -0.968 . . . . 0.0 109.312 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -90.03 59.41 4.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.175 -0.953 . . . . 0.0 109.518 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -64.83 -39.91 94.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.331 -0.856 . . . . 0.0 109.31 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.503 HG23 ' N ' ' A' ' 6' ' ' LEU . 9.4 t -60.06 -41.21 91.87 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.257 -0.902 . . . . 0.0 109.288 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.503 ' N ' HG23 ' A' ' 5' ' ' THR . 60.5 tp -60.85 -42.68 98.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.194 -0.941 . . . . 0.0 108.598 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.12 -40.01 88.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.324 -0.86 . . . . 0.0 109.336 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.85 90.43 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.224 -0.922 . . . . 0.0 108.525 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.0 -48.59 69.32 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 108.781 -1.728 . . . . 0.0 108.781 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -48.74 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.446 -1.032 . . . . 0.0 109.879 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.98 -46.44 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.169 -0.957 . . . . 0.0 109.285 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.29 -39.89 88.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.139 -0.976 . . . . 0.0 109.532 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -60.02 -41.77 92.92 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.102 -0.999 . . . . 0.0 109.389 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -60.44 -40.09 89.84 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.936 -1.102 . . . . 0.0 109.153 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -60.0 -46.3 89.93 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.243 -0.911 . . . . 0.0 109.248 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.1 -44.24 94.99 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.095 -1.003 . . . . 0.0 109.427 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.55 -41.86 97.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.215 -0.928 . . . . 0.0 109.603 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.98 -46.0 90.88 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.302 -0.873 . . . . 0.0 109.126 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.93 -48.79 80.25 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.269 -0.895 . . . . 0.0 109.739 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 68.7 t -59.99 -41.71 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.081 -1.012 . . . . 0.0 109.087 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.99 -49.83 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.164 -0.96 . . . . 0.0 108.713 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.62 -40.38 94.61 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.259 -0.9 . . . . 0.0 108.782 178.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.548 ' NE ' ' OD1' ' B' ' 99' ' ' ASN . 34.4 ttm-85 -60.04 -40.0 87.84 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -59.94 -39.12 84.46 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.22 -0.925 . . . . 0.0 108.695 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.02 -47.38 86.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.088 -1.008 . . . . 0.0 109.182 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -62.02 -41.3 97.94 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.595 -1.315 . . . . 0.0 109.311 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.27 -41.03 92.43 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.158 -0.964 . . . . 0.0 109.192 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.96 -39.94 87.33 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.519 -0.738 . . . . 0.0 109.208 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' A' ' 29' ' ' ARG . 39.2 mtt-85 -60.1 -40.03 88.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.022 -1.049 . . . . 0.0 108.909 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.454 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 91.8 mt -60.72 -41.85 96.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.047 -1.033 . . . . 0.0 109.523 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.0 p -62.82 -39.92 95.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.919 -1.113 . . . . 0.0 109.268 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.23 -40.06 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -60.04 -42.85 95.33 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.37 -0.831 . . . . 0.0 110.47 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -47.58 90.34 Favored Glycine 0 N--CA 1.487 2.04 0 C-N-CA 119.545 -1.312 . . . . 0.0 109.845 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.3 m -60.07 -50.0 75.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.108 -1.231 . . . . 0.0 109.885 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -60.54 -40.0 89.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.05 -1.031 . . . . 0.0 110.103 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.794 HD21 HH21 ' A' ' 41' ' ' ARG . 41.0 t30 -60.01 -40.21 88.47 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.106 -0.996 . . . . 0.0 109.577 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.421 ' O ' HG23 ' A' ' 42' ' ' VAL . 88.0 mt -61.29 -40.14 93.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.877 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.99 -41.87 92.99 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.061 -1.024 . . . . 0.0 109.551 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.2 p -60.61 -40.09 90.56 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.062 -1.024 . . . . 0.0 108.92 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.794 HH21 HD21 ' A' ' 37' ' ' ASN . 26.5 mtt-85 -69.12 -40.01 78.57 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 38' ' ' LEU . 53.0 t -59.96 -41.0 84.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.414 -0.804 . . . . 0.0 109.042 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.1 p -59.95 -40.05 87.66 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.053 -1.029 . . . . 0.0 109.396 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.29 -43.1 96.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.114 -0.991 . . . . 0.0 108.79 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.89 -37.86 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.555 -0.716 . . . . 0.0 109.422 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.87 -40.16 87.7 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.08 -1.013 . . . . 0.0 108.461 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.67 -46.32 90.78 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.445 -0.784 . . . . 0.0 109.164 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 38.1 m-85 -59.97 -40.04 87.69 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.493 -0.754 . . . . 0.0 110.065 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.04 -39.81 87.21 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.99 -1.069 . . . . 0.0 108.999 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -59.91 -39.9 87.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.982 -1.074 . . . . 0.0 108.688 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.0 -38.63 83.19 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.628 ' NE2' HD21 ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.9 -40.01 87.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 108.912 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.02 78.65 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.861 -1.149 . . . . 0.0 108.353 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.451 -0.78 . . . . 0.0 109.578 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.0 mt -70.66 117.52 12.29 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.122 -0.986 . . . . 0.0 108.767 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.563 ' CG ' ' H ' ' A' ' 70' ' ' VAL . 24.7 m120 -133.13 -60.61 0.85 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.311 -0.868 . . . . 0.0 110.768 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.69 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -153.52 116.14 4.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.105 -0.997 . . . . 0.0 110.382 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.686 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 92.1 m95 -101.62 124.35 47.12 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.523 -0.736 . . . . 0.0 110.351 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.437 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.16 24.22 73.29 Favored Glycine 0 N--CA 1.492 2.414 0 C-N-CA 120.072 -1.061 . . . . 0.0 110.949 178.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.497 ' HA ' ' HB1' ' B' ' 60' ' ' ALA . . . -76.36 22.7 0.16 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.715 -1.462 . . . . 0.0 109.447 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.57 112.0 1.89 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.178 -0.952 . . . . 0.0 109.75 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -108.64 12.95 25.52 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.343 -0.848 . . . . 0.0 109.932 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.471 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 69.3 mtm180 -135.74 24.35 3.38 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.221 -0.925 . . . . 0.0 108.631 177.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.544 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -148.26 151.88 36.19 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.348 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -102.85 59.06 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.124 -0.985 . . . . 0.0 108.413 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.54 157.37 42.93 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.423 -0.798 . . . . 0.0 109.528 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -129.47 134.0 47.58 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.522 ' O ' HG23 ' A' ' 68' ' ' THR . 6.1 t -88.69 115.01 25.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.723 -1.236 . . . . 0.0 109.37 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 69' ' ' THR . 8.8 t -110.9 120.61 42.95 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.563 ' H ' ' CG ' ' A' ' 56' ' ' ASN . 89.4 t -122.93 83.35 50.25 Favored Pre-proline 0 N--CA 1.495 1.779 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -86.39 61.71 4.71 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.786 2.324 . . . . 0.0 111.642 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' A' ' 73' ' ' PRO . 27.3 t90 -70.05 130.76 89.48 Favored Pre-proline 0 N--CA 1.488 1.464 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' TRP . 91.4 Cg_exo -40.61 148.5 0.19 Allowed 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 121.32 1.347 . . . . 0.0 110.765 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.634 HD21 ' NE2' ' C' ' 52' ' ' GLN . 1.9 t-20 -131.21 -38.65 1.2 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.205 -0.934 . . . . 0.0 109.225 -178.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.32 124.88 39.58 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.3 t -83.94 105.31 14.72 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.8 mt -83.2 134.75 34.95 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.651 0.738 . . . . 0.0 109.963 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 78' ' ' THR . 6.5 t -94.84 113.03 60.29 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.592 -0.692 . . . . 0.0 109.625 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -89.29 -48.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.219 0 C-N-CA 121.712 1.608 . . . . 0.0 113.584 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -122.29 -44.01 2.28 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.645 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.0 p90 -59.47 -49.88 76.09 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.411 -1.431 . . . . 0.0 112.911 -175.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.645 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 45.4 t30 -71.78 -42.72 66.79 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 119.867 -1.771 . . . . 0.0 109.943 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -60.03 -49.93 75.72 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.204 -0.935 . . . . 0.0 110.547 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.58 -43.12 99.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.81 -1.181 . . . . 0.0 109.936 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 81' ' ' TRP . 76.8 p -69.71 -40.05 76.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 109.277 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -68.0 -38.84 83.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.155 -0.966 . . . . 0.0 108.979 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -60.04 -39.98 87.81 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.237 -0.914 . . . . 0.0 108.694 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.77 -40.05 96.09 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.887 -1.133 . . . . 0.0 109.123 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.464 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 62.4 t90 -60.0 -49.97 75.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.203 -0.936 . . . . 0.0 111.045 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -67.23 -39.83 86.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.505 -1.372 . . . . 0.0 109.201 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.01 -41.19 91.59 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.233 -0.917 . . . . 0.0 110.059 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -60.06 -44.84 94.44 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.703 -1.248 . . . . 0.0 108.322 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.52 -40.1 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.29 -0.881 . . . . 0.0 109.071 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.03 -42.74 95.04 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.419 -0.8 . . . . 0.0 110.394 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -69.7 -40.0 76.57 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.858 -1.151 . . . . 0.0 109.095 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 68.6 mt -67.0 -40.03 87.23 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.186 -0.946 . . . . 0.0 108.877 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.42 ' OE2' ' NH2' ' A' ' 29' ' ' ARG . 88.9 tt0 -59.97 -46.54 89.1 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.343 -0.848 . . . . 0.0 109.49 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.04 -44.49 94.62 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.114 -0.991 . . . . 0.0 109.314 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.542 ' OD1' ' NE ' ' C' ' 23' ' ' ARG . 14.5 t-20 -62.26 -42.28 99.19 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.196 -0.94 . . . . 0.0 109.62 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.08 -46.68 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.026 -1.046 . . . . 0.0 109.034 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.8 p -61.36 -39.96 92.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.165 -0.959 . . . . 0.0 109.621 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.02 -46.57 89.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.156 -0.965 . . . . 0.0 109.579 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.2 mt -67.44 -39.97 85.41 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.983 -1.073 . . . . 0.0 108.903 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.55 -43.47 93.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.139 -0.976 . . . . 0.0 109.32 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.2 -43.49 95.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.243 -0.911 . . . . 0.0 109.269 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -68.77 -39.99 79.96 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.188 -0.945 . . . . 0.0 108.78 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.15 -44.45 97.31 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.422 -0.799 . . . . 0.0 109.599 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -60.03 -48.83 80.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.074 -1.016 . . . . 0.0 109.042 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.01 -50.04 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.311 -0.868 . . . . 0.0 109.447 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -64.68 -40.93 96.25 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.046 -1.034 . . . . 0.0 109.7 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -60.01 -49.4 77.83 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.196 -0.94 . . . . 0.0 109.838 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -62.72 -41.99 99.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.194 -0.942 . . . . 0.0 110.034 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -63.13 -39.99 96.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.066 -1.021 . . . . 0.0 109.894 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -63.76 -42.34 97.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.986 -1.071 . . . . 0.0 109.479 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 26.9 ttt -69.79 -40.06 76.21 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.102 -0.998 . . . . 0.0 108.684 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -60.04 -49.78 76.33 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.543 -0.723 . . . . 0.0 109.217 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.303 -0.873 . . . . 0.0 109.382 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.0 -41.51 92.27 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.243 -0.911 . . . . 0.0 109.273 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.6 mt-30 -60.78 -40.01 91.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.185 -0.947 . . . . 0.0 109.691 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -59.98 -39.16 84.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.15 -0.969 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.97 -46.82 88.2 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -126.44 61.55 1.3 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.618 -0.676 . . . . 0.0 109.435 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.494 1.772 0 O-C-N 121.064 -1.022 . . . . 0.0 109.22 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . 0.41 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.196 0.522 . . . . 0.0 109.629 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -73.89 144.35 45.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.207 -0.933 . . . . 0.0 109.382 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -90.0 59.35 4.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.167 -0.958 . . . . 0.0 109.408 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -64.62 -40.07 94.82 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.399 -0.813 . . . . 0.0 109.395 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.49 HG23 ' N ' ' B' ' 6' ' ' LEU . 9.2 t -59.96 -40.95 90.81 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.23 -0.919 . . . . 0.0 109.437 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.49 ' N ' HG23 ' B' ' 5' ' ' THR . 61.3 tp -61.22 -42.43 98.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 108.7 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.08 -40.07 88.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.409 -0.807 . . . . 0.0 109.235 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.78 89.94 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.145 -0.972 . . . . 0.0 108.597 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.2 -48.58 68.53 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 178.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.07 -48.6 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.4 -1.059 . . . . 0.0 109.887 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.99 -46.42 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.175 -0.953 . . . . 0.0 109.392 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.26 -39.96 88.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.109 -0.995 . . . . 0.0 109.578 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -60.02 -41.72 92.77 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.07 -1.019 . . . . 0.0 109.314 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.57 -40.01 90.1 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.947 -1.096 . . . . 0.0 109.085 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.98 -46.34 89.76 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.263 -0.898 . . . . 0.0 109.178 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.06 -44.33 94.8 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.181 -0.949 . . . . 0.0 109.405 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.55 -41.84 97.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.257 -0.902 . . . . 0.0 109.567 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.05 -45.81 91.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.286 -0.884 . . . . 0.0 109.038 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -60.0 -48.85 80.02 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -0.936 . . . . 0.0 109.733 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 68.7 t -59.99 -41.66 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.04 -1.038 . . . . 0.0 109.048 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.94 -49.71 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.128 -0.982 . . . . 0.0 108.824 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -61.83 -40.34 94.94 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.248 -0.907 . . . . 0.0 108.714 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.531 ' NE ' ' OD1' ' C' ' 99' ' ' ASN . 34.1 ttm-85 -60.01 -40.01 87.77 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.697 -0.627 . . . . 0.0 109.311 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.05 -38.93 84.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.12 -0.987 . . . . 0.0 108.722 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.03 -47.27 86.55 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.022 -1.049 . . . . 0.0 109.252 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -62.28 -41.02 98.14 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.702 -1.249 . . . . 0.0 109.254 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.7 tp -60.57 -40.93 93.5 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.291 -0.88 . . . . 0.0 109.143 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.08 -39.94 87.81 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.565 -0.71 . . . . 0.0 109.177 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.468 HH11 ' HG2' ' B' ' 29' ' ' ARG . 39.4 mtt-85 -60.05 -40.34 89.08 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.125 -0.984 . . . . 0.0 108.847 -179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.481 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 93.7 mt -60.33 -41.66 94.0 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.039 -1.038 . . . . 0.0 109.52 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 77.8 p -63.06 -40.17 96.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.904 -1.123 . . . . 0.0 109.139 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.84 -40.0 83.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.546 -0.721 . . . . 0.0 109.123 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -60.08 -43.22 95.63 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.313 -0.867 . . . . 0.0 110.356 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.4 -47.86 88.82 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.881 -1.288 . . . . 0.0 109.881 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 87.2 m -60.0 -50.03 75.36 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.065 -1.256 . . . . 0.0 109.916 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -60.52 -40.07 90.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.073 -1.017 . . . . 0.0 110.037 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.766 HD21 HH21 ' B' ' 41' ' ' ARG . 41.4 t30 -59.95 -40.48 89.17 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.12 -0.988 . . . . 0.0 109.483 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.419 ' O ' HG23 ' B' ' 42' ' ' VAL . 88.8 mt -61.02 -40.21 92.72 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.088 -1.007 . . . . 0.0 109.846 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.99 -42.01 93.3 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.107 -0.995 . . . . 0.0 109.59 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' B' ' 43' ' ' THR . 62.3 p -60.58 -40.08 90.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.098 -1.001 . . . . 0.0 108.949 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.766 HH21 HD21 ' B' ' 37' ' ' ASN . 27.2 mtt-85 -69.14 -40.0 78.5 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 38' ' ' LEU . 53.3 t -60.0 -40.97 84.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.349 -0.845 . . . . 0.0 108.977 179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 40' ' ' THR . 43.1 p -60.06 -40.07 88.18 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.063 -1.023 . . . . 0.0 109.218 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.07 96.13 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.138 -0.976 . . . . 0.0 109.015 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.88 -37.81 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.567 -0.708 . . . . 0.0 109.3 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.02 -40.09 88.12 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.077 -1.014 . . . . 0.0 108.374 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.75 -46.27 91.08 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.347 -0.846 . . . . 0.0 109.018 178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.527 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 37.9 m-85 -59.95 -40.04 87.64 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.439 -0.788 . . . . 0.0 110.029 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.02 -39.66 86.62 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.986 -1.071 . . . . 0.0 109.112 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -60.06 -39.9 87.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.921 -1.112 . . . . 0.0 108.723 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.95 -38.75 83.33 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.61 ' NE2' HD21 ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.87 -40.06 87.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.295 -0.878 . . . . 0.0 108.94 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.21 78.73 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.857 -1.152 . . . . 0.0 108.239 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -59.96 -40.06 87.73 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.415 -0.803 . . . . 0.0 109.61 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 77.4 mt -70.46 117.85 12.52 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.054 -1.029 . . . . 0.0 108.743 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.563 ' CG ' ' H ' ' B' ' 70' ' ' VAL . 24.9 m120 -133.49 -60.34 0.84 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.439 -0.788 . . . . 0.0 110.775 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.686 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -153.71 115.88 4.33 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.131 -0.981 . . . . 0.0 110.3 -178.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' TRP . . . . . 0.696 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 92.3 m95 -101.6 124.27 46.98 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.516 -0.74 . . . . 0.0 110.367 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.12 24.42 73.28 Favored Glycine 0 N--CA 1.493 2.471 0 C-N-CA 120.14 -1.029 . . . . 0.0 110.886 178.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.497 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -76.59 22.91 0.17 Allowed 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.787 -1.419 . . . . 0.0 109.399 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.54 112.02 1.9 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.21 -0.931 . . . . 0.0 109.684 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -108.61 12.52 25.87 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.258 -0.901 . . . . 0.0 109.957 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.478 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 69.0 mtm180 -135.6 24.37 3.42 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.272 -0.893 . . . . 0.0 108.727 178.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . 0.546 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -148.15 151.95 36.46 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.266 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.4 t -103.02 59.27 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.64 157.62 43.19 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.548 -0.72 . . . . 0.0 109.475 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -129.77 133.84 47.23 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.506 HG23 ' O ' ' B' ' 68' ' ' THR . 6.1 t -88.57 115.06 25.82 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.783 -1.198 . . . . 0.0 109.405 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.558 ' O ' HG23 ' B' ' 69' ' ' THR . 8.8 t -110.88 120.77 43.5 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.563 ' H ' ' CG ' ' B' ' 56' ' ' ASN . 90.3 t -123.05 83.42 50.91 Favored Pre-proline 0 N--CA 1.496 1.834 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -86.38 61.71 4.72 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.862 2.375 . . . . 0.0 111.606 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.405 ' O ' ' C ' ' B' ' 73' ' ' PRO . 26.7 t90 -70.07 130.93 89.27 Favored Pre-proline 0 N--CA 1.489 1.488 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.405 ' C ' ' O ' ' B' ' 72' ' ' TRP . 93.3 Cg_exo -40.61 148.27 0.21 Allowed 'Trans proline' 0 N--CA 1.488 1.177 0 C-N-CA 121.272 1.315 . . . . 0.0 110.805 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.628 HD21 ' NE2' ' A' ' 52' ' ' GLN . 1.9 t-20 -130.9 -38.86 1.24 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.238 -0.913 . . . . 0.0 109.212 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.12 124.81 39.36 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 7.5 t -83.71 105.35 14.55 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.1 mt -83.23 134.89 34.93 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.609 0.719 . . . . 0.0 109.93 -178.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.579 ' O ' HG23 ' B' ' 78' ' ' THR . 6.2 t -94.86 113.11 60.47 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.578 -0.701 . . . . 0.0 109.569 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -89.37 -48.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.171 0 C-N-CA 121.669 1.58 . . . . 0.0 113.619 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -122.44 -43.43 2.29 Favored 'General case' 0 N--CA 1.506 2.346 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.651 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.1 p90 -60.01 -49.9 75.84 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.446 -1.409 . . . . 0.0 112.871 -175.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.651 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 45.8 t30 -72.0 -42.31 66.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 119.949 -1.719 . . . . 0.0 109.802 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -60.44 -50.09 74.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.328 -0.858 . . . . 0.0 110.41 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.39 -43.01 99.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.93 -1.106 . . . . 0.0 109.762 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . 0.44 HG23 ' O ' ' B' ' 81' ' ' TRP . 77.1 p -70.01 -39.96 75.53 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.205 -0.935 . . . . 0.0 109.278 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -68.05 -38.78 82.86 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.236 -0.915 . . . . 0.0 108.951 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -60.06 -39.99 87.93 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.259 -0.901 . . . . 0.0 108.806 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.56 -40.12 95.83 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.816 -1.177 . . . . 0.0 109.136 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.454 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 62.0 t90 -59.98 -50.0 75.47 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.215 -0.928 . . . . 0.0 111.026 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -67.38 -39.8 85.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.686 -1.259 . . . . 0.0 109.037 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.0 -41.43 92.06 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.176 -0.952 . . . . 0.0 110.131 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -59.91 -44.66 94.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.569 -1.332 . . . . 0.0 108.455 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.63 -40.15 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.397 -0.815 . . . . 0.0 108.98 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 56.5 t0 -60.06 -43.0 95.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.297 -0.877 . . . . 0.0 110.182 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -69.37 -40.03 77.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.928 -1.107 . . . . 0.0 109.054 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 68.6 mt -67.16 -40.05 86.57 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.247 -0.908 . . . . 0.0 108.875 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . 0.412 ' OE2' ' NH2' ' B' ' 29' ' ' ARG . 89.0 tt0 -59.92 -46.37 89.57 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.285 -0.885 . . . . 0.0 109.483 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.02 -44.77 94.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.12 -0.987 . . . . 0.0 109.269 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.548 ' OD1' ' NE ' ' A' ' 23' ' ' ARG . 14.4 t-20 -61.99 -42.3 98.99 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.249 -0.907 . . . . 0.0 109.61 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 93.2 mt -60.02 -46.24 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.148 -0.97 . . . . 0.0 109.197 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 68.3 p -62.05 -40.03 94.39 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.222 -0.924 . . . . 0.0 109.489 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.95 -46.44 89.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.197 -0.939 . . . . 0.0 109.575 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -67.36 -39.96 85.75 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.063 -1.023 . . . . 0.0 109.034 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.69 -43.48 93.37 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.954 . . . . 0.0 109.219 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.14 -43.49 95.69 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.105 -0.997 . . . . 0.0 109.327 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.77 -39.95 79.97 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.275 -0.891 . . . . 0.0 108.85 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.49 97.2 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.444 -0.785 . . . . 0.0 109.598 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -59.94 -48.68 80.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.036 -1.04 . . . . 0.0 109.004 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 91.6 mt -59.99 -50.03 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.254 -0.904 . . . . 0.0 109.534 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -64.94 -40.89 95.71 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.019 -1.051 . . . . 0.0 109.665 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -60.01 -49.46 77.59 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.228 -0.92 . . . . 0.0 109.912 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -62.53 -41.94 99.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.891 . . . . 0.0 110.107 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -63.31 -39.97 96.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.164 -0.96 . . . . 0.0 109.957 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -63.61 -42.52 98.22 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.068 -1.02 . . . . 0.0 109.532 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 26.8 ttt -69.64 -40.11 76.72 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.139 -0.976 . . . . 0.0 108.642 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -60.0 -49.79 76.27 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.591 -0.693 . . . . 0.0 109.227 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -40.03 88.09 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.317 -0.864 . . . . 0.0 109.545 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.94 -41.49 91.93 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.328 -0.858 . . . . 0.0 109.265 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.6 mt-30 -60.69 -40.08 90.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.13 -0.981 . . . . 0.0 109.718 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -60.02 -39.17 84.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.168 -0.958 . . . . 0.0 109.246 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.9 -46.86 88.0 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -126.23 61.32 1.29 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.573 -0.704 . . . . 0.0 109.456 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.545 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.823 0 O-C-N 121.009 -1.057 . . . . 0.0 109.101 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . 0.414 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 96.3 mt-30 -73.93 144.31 45.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.243 -0.91 . . . . 0.0 109.374 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -89.87 59.33 4.55 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.173 -0.955 . . . . 0.0 109.427 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -64.57 -40.07 94.89 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.348 -0.845 . . . . 0.0 109.344 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.49 HG23 ' N ' ' C' ' 6' ' ' LEU . 8.8 t -59.98 -41.26 91.62 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.174 -0.954 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.49 ' N ' HG23 ' C' ' 5' ' ' THR . 61.1 tp -60.75 -42.68 97.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.148 -0.97 . . . . 0.0 108.762 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 20.8 mt -60.22 -39.88 88.19 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.45 -0.781 . . . . 0.0 109.27 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.75 90.39 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.187 -0.946 . . . . 0.0 108.523 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.08 -48.61 68.7 Favored Glycine 0 N--CA 1.487 2.071 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.06 -48.68 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.387 -1.067 . . . . 0.0 109.871 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.96 -46.33 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.109 -0.994 . . . . 0.0 109.399 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -60.36 -39.9 88.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.145 -0.972 . . . . 0.0 109.516 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -60.1 -41.89 93.49 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.098 -1.001 . . . . 0.0 109.358 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -60.38 -40.0 89.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.945 -1.097 . . . . 0.0 109.126 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.05 -46.36 89.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.262 -0.899 . . . . 0.0 109.136 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -59.99 -44.52 94.46 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.111 -0.993 . . . . 0.0 109.298 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.36 -42.11 98.16 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.0 109.571 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.92 -45.73 91.66 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.303 -0.873 . . . . 0.0 109.167 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -59.94 -49.02 79.33 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.21 -0.931 . . . . 0.0 109.745 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.94 -41.58 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.156 -0.965 . . . . 0.0 108.941 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.0 -49.88 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.084 -1.01 . . . . 0.0 108.718 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.69 -40.25 94.34 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.231 -0.918 . . . . 0.0 108.793 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.542 ' NE ' ' OD1' ' A' ' 99' ' ' ASN . 34.4 ttm-85 -60.03 -40.01 87.86 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.632 -0.667 . . . . 0.0 109.33 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -59.99 -39.14 84.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.105 -0.997 . . . . 0.0 108.698 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -59.94 -47.23 86.64 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.981 -1.075 . . . . 0.0 109.204 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -62.31 -41.02 98.18 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.576 -1.327 . . . . 0.0 109.216 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.74 -40.58 92.95 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.331 -0.855 . . . . 0.0 109.235 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.0 -40.02 87.76 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.452 -0.78 . . . . 0.0 109.239 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . 0.466 ' HG2' HH11 ' C' ' 29' ' ' ARG . 39.4 mtt-85 -60.01 -40.47 89.38 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.995 -1.065 . . . . 0.0 108.865 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.464 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 93.1 mt -60.24 -41.95 94.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.035 -1.041 . . . . 0.0 109.553 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.5 p -62.89 -40.13 96.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.893 -1.129 . . . . 0.0 109.184 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.91 -40.05 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.425 -0.797 . . . . 0.0 109.082 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -59.98 -43.08 95.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.37 -0.831 . . . . 0.0 110.379 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.71 -47.73 89.5 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 85.1 m -60.02 -50.01 75.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.117 -1.225 . . . . 0.0 109.929 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -60.59 -39.97 90.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.073 -1.017 . . . . 0.0 110.088 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.81 HD21 HH21 ' C' ' 41' ' ' ARG . 40.8 t30 -60.07 -40.36 89.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.162 -0.961 . . . . 0.0 109.526 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.407 ' O ' HG23 ' C' ' 42' ' ' VAL . 89.0 mt -61.0 -40.3 92.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.173 -0.954 . . . . 0.0 109.92 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.94 -42.09 93.25 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.177 -0.952 . . . . 0.0 109.572 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 62.3 p -60.5 -40.0 89.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.01 -1.056 . . . . 0.0 108.906 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.81 HH21 HD21 ' C' ' 37' ' ' ASN . 26.1 mtt-85 -69.3 -39.94 78.0 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.184 -0.948 . . . . 0.0 108.553 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . 0.407 HG23 ' O ' ' C' ' 38' ' ' LEU . 53.1 t -60.05 -41.01 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.421 -0.799 . . . . 0.0 108.856 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 42.7 p -60.01 -40.03 87.82 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.016 -1.053 . . . . 0.0 109.331 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.03 96.12 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.041 -1.037 . . . . 0.0 108.862 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.86 -37.84 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.538 -0.726 . . . . 0.0 109.363 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -60.01 -40.07 87.96 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.063 -1.023 . . . . 0.0 108.447 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.67 -46.1 91.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.363 -0.836 . . . . 0.0 109.132 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 37.9 m-85 -60.14 -39.96 88.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.485 -0.759 . . . . 0.0 110.122 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.04 -39.88 87.47 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.106 -0.996 . . . . 0.0 108.967 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -59.92 -39.95 87.18 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.984 -1.072 . . . . 0.0 108.605 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -59.93 -38.83 83.5 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.634 ' NE2' HD21 ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.95 -39.95 87.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.401 -0.812 . . . . 0.0 108.909 179.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.17 -38.07 78.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.853 -1.154 . . . . 0.0 108.183 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.94 -40.05 87.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.338 -0.851 . . . . 0.0 109.729 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 77.9 mt -70.55 117.75 12.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.045 -1.034 . . . . 0.0 108.734 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . 0.526 ' CG ' ' H ' ' C' ' 70' ' ' VAL . 24.7 m120 -133.28 -60.63 0.84 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.299 -0.876 . . . . 0.0 110.681 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . 0.696 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -153.5 116.28 4.49 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.067 -1.02 . . . . 0.0 110.247 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 58' ' ' TRP . . . . . 0.69 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 92.1 m95 -101.83 124.29 47.21 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.488 -0.757 . . . . 0.0 110.348 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.15 24.53 73.35 Favored Glycine 0 N--CA 1.49 2.284 0 C-N-CA 120.176 -1.011 . . . . 0.0 110.897 178.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . 0.473 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -76.61 22.73 0.17 Allowed 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.791 -1.417 . . . . 0.0 109.384 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 61' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.52 111.74 1.88 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.206 -0.934 . . . . 0.0 109.781 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -108.35 12.72 26.15 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.319 -0.863 . . . . 0.0 110.037 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . 0.477 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 69.1 mtm180 -135.62 24.39 3.41 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.263 -0.898 . . . . 0.0 108.596 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . 0.552 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -148.21 151.88 36.25 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.287 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -102.79 59.06 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.71 157.36 42.87 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.461 -0.774 . . . . 0.0 109.551 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -129.24 134.2 47.87 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.515 ' O ' HG23 ' C' ' 68' ' ' THR . 6.0 t -88.91 114.96 26.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.739 -1.226 . . . . 0.0 109.37 -178.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . 0.57 ' O ' HG23 ' C' ' 69' ' ' THR . 8.8 t -110.96 120.71 43.3 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.526 ' H ' ' CG ' ' C' ' 56' ' ' ASN . 91.1 t -122.86 83.51 49.78 Favored Pre-proline 0 N--CA 1.494 1.76 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -86.53 61.77 4.59 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.831 2.354 . . . . 0.0 111.663 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . 0.41 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 26.3 t90 -69.95 130.79 89.6 Favored Pre-proline 0 C--N 1.303 -1.455 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . 0.41 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 91.5 Cg_exo -40.42 148.84 0.17 Allowed 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 121.325 1.35 . . . . 0.0 110.781 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.61 HD21 ' NE2' ' B' ' 52' ' ' GLN . 1.9 t-20 -131.54 -38.5 1.17 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.164 -0.96 . . . . 0.0 109.232 -179.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.62 124.52 39.68 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.9 t -83.54 105.28 14.35 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 38.7 mt -83.08 134.97 34.99 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 121.577 0.703 . . . . 0.0 109.849 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.58 HG23 ' O ' ' C' ' 78' ' ' THR . 6.0 t -95.13 113.08 60.65 Favored Pre-proline 0 N--CA 1.495 1.775 0 O-C-N 121.643 -0.661 . . . . 0.0 109.462 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -89.37 -48.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.227 0 C-N-CA 121.576 1.518 . . . . 0.0 113.511 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -122.2 -43.54 2.31 Favored 'General case' 0 N--CA 1.506 2.358 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -177.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.657 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.1 p90 -60.04 -49.52 77.34 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.418 -1.426 . . . . 0.0 112.834 -175.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.657 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 45.6 t30 -72.14 -42.61 65.8 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 119.952 -1.717 . . . . 0.0 109.829 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.05 -50.0 75.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.923 . . . . 0.0 110.453 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.63 -42.85 99.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.776 -1.203 . . . . 0.0 109.775 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . 0.437 HG23 ' O ' ' C' ' 81' ' ' TRP . 77.2 p -70.06 -39.99 75.33 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.084 -1.01 . . . . 0.0 109.239 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 46.1 t-105 -67.95 -38.61 83.01 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.341 -0.849 . . . . 0.0 109.001 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -60.08 -39.99 87.99 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.128 -0.983 . . . . 0.0 108.846 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -62.8 -39.94 95.81 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.758 -1.214 . . . . 0.0 109.18 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.481 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.5 t90 -60.02 -50.03 75.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.362 -0.836 . . . . 0.0 110.859 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -67.33 -39.95 85.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.62 -1.3 . . . . 0.0 109.108 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -59.98 -41.17 91.41 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.144 -0.972 . . . . 0.0 110.128 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -60.1 -44.54 94.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.688 -1.258 . . . . 0.0 108.476 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.82 -40.01 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.442 -0.786 . . . . 0.0 108.93 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' C' ' 94' ' ' ASP . 57.1 t0 -59.98 -42.69 94.74 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.524 -0.735 . . . . 0.0 110.316 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -69.88 -39.96 75.98 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.922 -1.111 . . . . 0.0 109.015 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 70.8 mt -67.06 -40.08 87.02 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.252 -0.905 . . . . 0.0 108.866 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . 0.42 ' OE2' ' NH2' ' C' ' 29' ' ' ARG . 88.9 tt0 -59.97 -46.39 89.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.262 -0.899 . . . . 0.0 109.521 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -44.68 94.45 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.093 -1.004 . . . . 0.0 109.231 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . 0.531 ' OD1' ' NE ' ' B' ' 23' ' ' ARG . 14.4 t-20 -62.12 -42.08 98.88 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.235 -0.916 . . . . 0.0 109.668 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.1 -46.99 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.028 -1.045 . . . . 0.0 108.939 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 71.6 p -61.22 -40.1 92.74 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.246 -0.909 . . . . 0.0 109.705 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.91 -46.35 89.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.096 -1.002 . . . . 0.0 109.673 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.41 -40.01 85.53 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.064 -1.022 . . . . 0.0 108.951 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.67 -43.54 93.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.212 -0.93 . . . . 0.0 109.251 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.02 -43.59 95.15 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.222 -0.924 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.69 -40.01 80.27 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.225 -0.922 . . . . 0.0 108.839 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.39 97.36 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.415 -0.803 . . . . 0.0 109.612 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -60.01 -48.77 80.32 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.148 -0.97 . . . . 0.0 109.025 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.0 -50.01 81.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.564 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -64.87 -40.8 95.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.069 -1.019 . . . . 0.0 109.709 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -60.07 -49.28 78.27 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.243 -0.911 . . . . 0.0 109.79 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.97 -41.9 99.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.296 -0.877 . . . . 0.0 109.99 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.21 -40.01 96.26 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.048 -1.032 . . . . 0.0 109.983 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -63.23 -42.51 99.23 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.087 -1.008 . . . . 0.0 109.653 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 26.9 ttt -69.87 -40.04 75.95 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.088 -1.007 . . . . 0.0 108.673 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -60.06 -49.8 76.21 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.339 -0.851 . . . . 0.0 109.39 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.94 -41.32 91.58 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.245 -0.91 . . . . 0.0 109.5 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.6 mt-30 -60.98 -40.03 91.89 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.085 -1.01 . . . . 0.0 109.611 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -59.95 -39.04 84.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.174 -0.954 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.99 -46.75 88.45 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -126.47 61.44 1.3 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.547 -0.721 . . . . 0.0 109.425 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.545 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.824 0 O-C-N 120.981 -1.074 . . . . 0.0 109.11 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -68.68 143.36 54.77 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.336 -0.852 . . . . 0.0 109.127 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -90.0 61.16 5.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.214 -0.928 . . . . 0.0 109.007 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.405 HH11 ' HG3' ' A' ' 4' ' ' ARG . 34.6 mtm-85 -62.79 -39.95 95.8 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.448 -0.782 . . . . 0.0 109.212 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 6' ' ' LEU . 7.9 t -59.99 -42.82 95.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.188 -0.945 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.517 ' N ' HG23 ' A' ' 5' ' ' THR . 59.2 tp -62.7 -40.03 95.87 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.073 -1.017 . . . . 0.0 109.345 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.9 mt -64.97 -38.99 92.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.369 -0.832 . . . . 0.0 109.958 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.05 88.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.034 -1.041 . . . . 0.0 108.793 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.94 -47.32 60.91 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 108.687 -1.765 . . . . 0.0 108.687 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.91 -49.12 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.34 -1.094 . . . . 0.0 109.018 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.95 -43.26 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.0 108.935 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.44 ' NE2' HE22 ' B' ' 110' ' ' GLN . 64.0 tt0 -61.4 -40.04 92.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.308 -0.87 . . . . 0.0 109.256 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.03 -42.15 93.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.26 -0.9 . . . . 0.0 109.451 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.438 HE21 ' HG3' ' C' ' 14' ' ' GLN . 94.7 mt-30 -60.13 -42.13 94.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.97 -1.081 . . . . 0.0 109.024 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -60.0 -47.25 86.62 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.345 -0.847 . . . . 0.0 109.191 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.04 -42.29 94.1 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.239 -0.913 . . . . 0.0 109.615 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.33 -43.07 99.68 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.164 -0.96 . . . . 0.0 108.907 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.439 HD21 HE21 ' A' ' 108' ' ' GLN . 59.9 tp -60.01 -44.33 94.64 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.481 -0.762 . . . . 0.0 109.272 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 19' ' ' ASP . 53.3 t0 -60.12 -46.77 88.51 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.085 -1.009 . . . . 0.0 109.799 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.2 -40.0 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.998 -1.064 . . . . 0.0 109.571 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.04 -41.84 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.125 -0.984 . . . . 0.0 108.553 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.44 -41.38 93.9 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.631 -0.668 . . . . 0.0 109.376 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.471 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 32.0 mmt180 -60.59 -41.12 94.05 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 109.752 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.12 -39.92 87.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.144 -0.973 . . . . 0.0 109.262 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -60.01 -46.1 90.61 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.251 -0.906 . . . . 0.0 109.215 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.83 -40.17 94.75 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.122 -0.986 . . . . 0.0 109.424 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.0 tp -64.18 -40.3 95.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 109.177 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.16 -40.15 88.9 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.369 -0.832 . . . . 0.0 109.354 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.69 -40.79 93.5 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.363 -0.835 . . . . 0.0 109.817 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.554 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.7 mt -62.81 -40.81 98.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.213 -0.929 . . . . 0.0 109.773 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -62.54 -39.93 95.19 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.957 -1.089 . . . . 0.0 109.381 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.46 -39.96 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.288 -0.882 . . . . 0.0 109.256 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -59.97 -42.6 94.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.205 -0.935 . . . . 0.0 110.102 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -48.77 84.43 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -59.95 -50.09 75.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.142 -1.211 . . . . 0.0 109.937 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -61.04 -40.02 92.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.098 -1.001 . . . . 0.0 110.025 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.448 HD21 HH21 ' A' ' 41' ' ' ARG . 42.6 t30 -59.95 -40.79 90.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.128 -0.983 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.87 -39.92 91.04 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.232 -0.918 . . . . 0.0 109.858 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -60.02 -40.34 88.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.976 -1.077 . . . . 0.0 109.775 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.2 p -60.05 -40.37 89.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.029 -1.045 . . . . 0.0 108.42 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.536 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 37.4 mtt-85 -68.96 -40.0 79.15 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.502 -0.748 . . . . 0.0 109.017 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.0 -42.59 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.21 -0.931 . . . . 0.0 108.651 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.2 p -59.99 -40.04 87.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.946 -1.096 . . . . 0.0 109.015 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.13 94.66 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.912 . . . . 0.0 108.61 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.6 mt -59.96 -39.29 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.638 -0.664 . . . . 0.0 109.368 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.99 -39.99 87.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.148 -0.97 . . . . 0.0 109.34 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -64.61 -39.96 94.64 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.795 -1.191 . . . . 0.0 109.681 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 54.2 m-85 -66.24 -39.62 89.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.912 -1.117 . . . . 0.0 109.533 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.45 HD22 HE22 ' C' ' 52' ' ' GLN . 82.2 mt -60.07 -39.94 87.82 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.182 -0.949 . . . . 0.0 108.595 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -60.01 -39.96 87.6 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.827 -1.17 . . . . 0.0 108.655 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -60.02 -39.2 85.01 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.234 -0.916 . . . . 0.0 108.881 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.843 HE21 HD21 ' B' ' 74' ' ' ASN . 19.1 mt-30 -59.97 -40.03 87.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.034 -1.041 . . . . 0.0 109.128 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.87 -39.98 75.32 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -59.99 -39.56 86.17 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.72 114.84 7.43 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.3 -0.875 . . . . 0.0 108.715 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.767 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 74.9 m-80 -134.83 -65.54 0.62 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.35 -0.844 . . . . 0.0 110.714 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.762 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -153.94 116.38 4.37 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.42 -0.8 . . . . 0.0 109.824 -178.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TRP . . . . . 0.77 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 82.2 m95 -100.04 125.52 46.11 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.416 -0.802 . . . . 0.0 110.175 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 64.91 27.3 72.0 Favored Glycine 0 N--CA 1.489 2.231 0 C-N-CA 120.016 -1.088 . . . . 0.0 110.701 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.491 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -75.69 22.62 0.13 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.631 -1.511 . . . . 0.0 108.966 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.47 115.88 2.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.207 -0.933 . . . . 0.0 109.511 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.464 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 33.0 m-85 -118.2 11.99 13.36 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 121.318 -0.864 . . . . 0.0 110.673 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.415 HH11 ' HG3' ' A' ' 63' ' ' ARG . 2.6 ptm180 -137.52 24.73 2.91 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . 0.452 ' NE2' ' CG ' ' C' ' 62' ' ' PHE . 30.1 mt-30 -143.64 152.62 41.59 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -179.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -102.61 56.31 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.21 157.89 43.22 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.471 -0.768 . . . . 0.0 110.115 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -129.99 135.04 47.84 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 68' ' ' THR . 7.2 t -89.64 113.57 25.05 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.464 -1.398 . . . . 0.0 109.567 -178.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.5 122.66 48.33 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.767 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 72.5 t -129.66 84.01 62.71 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.506 -0.746 . . . . 0.0 109.494 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -85.77 62.97 5.45 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 122.744 2.296 . . . . 0.0 111.331 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' PRO . 13.0 t90 -69.8 130.56 90.07 Favored Pre-proline 0 N--CA 1.488 1.473 0 O-C-N 121.412 -0.805 . . . . 0.0 109.037 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' TRP . 85.9 Cg_exo -39.58 147.93 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.166 0 C-N-CA 121.49 1.46 . . . . 0.0 110.911 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.799 HD21 HE21 ' C' ' 52' ' ' GLN . 2.4 t-20 -132.03 -35.6 1.21 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.391 -0.818 . . . . 0.0 109.439 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.69 126.85 42.15 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 t -80.96 110.0 16.08 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.2 mt -77.53 138.53 39.24 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.599 0.714 . . . . 0.0 109.357 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 78' ' ' THR . 10.0 t -139.03 85.77 15.62 Favored Pre-proline 0 N--CA 1.493 1.712 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.425 ' CD ' ' H ' ' A' ' 80' ' ' LYS . 17.4 Cg_endo -102.23 -44.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 123.604 2.87 . . . . 0.0 114.293 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.425 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 55.5 tttm -79.29 -47.94 14.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.185 -0.947 . . . . 0.0 113.13 -176.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' TRP . . . . . 0.515 ' CE2' ' OG1' ' A' ' 78' ' ' THR . 4.2 p90 -82.88 -43.59 16.38 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 120.391 -1.443 . . . . 0.0 112.532 -177.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.52 ' OD1' ' NH2' ' C' ' 41' ' ' ARG . 38.0 t30 -69.34 -39.98 77.84 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.483 -1.386 . . . . 0.0 110.564 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -60.0 -49.98 75.55 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.958 -1.089 . . . . 0.0 110.03 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -60.36 -42.45 95.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.924 -1.11 . . . . 0.0 109.784 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.7 p -69.65 -40.02 76.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.186 -0.946 . . . . 0.0 109.432 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -67.47 -39.99 85.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.078 -1.014 . . . . 0.0 109.748 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.04 -41.13 91.61 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.775 -1.203 . . . . 0.0 108.751 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.01 -43.54 95.18 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.876 -1.14 . . . . 0.0 108.158 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TRP . . . . . 0.565 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 66.3 t90 -60.14 -49.93 75.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.5 -0.75 . . . . 0.0 109.691 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.61 -40.47 88.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.38 -0.825 . . . . 0.0 109.407 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.466 ' HG2' HH11 ' A' ' 91' ' ' ARG . 33.0 mtt-85 -65.41 -39.93 92.76 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.285 -0.884 . . . . 0.0 109.9 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -60.13 -43.22 95.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.946 -1.097 . . . . 0.0 108.804 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.16 -40.83 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.339 -0.851 . . . . 0.0 109.498 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -60.08 -44.91 94.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.131 -0.98 . . . . 0.0 110.282 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -64.84 -40.1 94.62 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.878 -1.139 . . . . 0.0 109.663 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.1 mt -66.21 -40.67 90.49 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.271 -0.893 . . . . 0.0 109.34 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.44 -42.52 99.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.141 -0.974 . . . . 0.0 109.191 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.05 -47.75 84.59 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.402 -0.812 . . . . 0.0 109.534 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.462 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.9 t-20 -60.11 -44.7 94.67 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.312 -0.868 . . . . 0.0 109.0 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.04 -46.9 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.411 -0.805 . . . . 0.0 109.76 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.1 p -59.98 -41.79 92.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.989 -1.07 . . . . 0.0 109.201 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -50.06 75.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.273 -0.892 . . . . 0.0 109.518 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.06 -43.07 95.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.329 -0.857 . . . . 0.0 109.534 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.56 -41.75 99.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.224 -0.923 . . . . 0.0 109.413 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.95 -46.83 88.14 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.076 -1.015 . . . . 0.0 109.05 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -62.7 -40.44 97.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.178 -0.952 . . . . 0.0 108.96 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.6 -43.73 97.09 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.341 -0.849 . . . . 0.0 109.485 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.439 HE21 HD21 ' A' ' 18' ' ' LEU . 86.2 mm-40 -60.02 -48.66 80.78 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.049 -1.032 . . . . 0.0 108.842 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.7 mt -59.99 -49.97 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.412 -0.805 . . . . 0.0 109.709 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.447 HE22 ' NE2' ' C' ' 12' ' ' GLN . 88.6 mt-30 -68.89 -40.05 79.41 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.195 -0.941 . . . . 0.0 109.558 -179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.65 -49.93 75.53 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.268 -0.895 . . . . 0.0 109.436 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.67 -39.99 91.93 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.276 -0.89 . . . . 0.0 109.326 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -63.88 -39.99 95.48 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.318 -0.864 . . . . 0.0 109.965 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -65.44 -44.42 87.32 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.935 -1.103 . . . . 0.0 109.46 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.9 ttm -68.84 -39.97 79.65 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -60.04 -49.94 75.67 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.588 -0.695 . . . . 0.0 109.189 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.83 -39.99 91.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.239 -0.913 . . . . 0.0 109.255 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.0 -42.07 93.46 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.343 -0.848 . . . . 0.0 109.392 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.3 mt-30 -61.33 -40.71 95.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.106 -0.996 . . . . 0.0 109.678 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.03 -39.98 87.73 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.389 -0.819 . . . . 0.0 109.449 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 90.4 mt -58.57 -46.57 86.62 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -125.81 61.22 1.25 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.59 -0.694 . . . . 0.0 109.387 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 119' ' ' GLN . 2.3 p . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.036 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -68.85 143.5 54.52 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.326 -0.859 . . . . 0.0 109.051 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -89.99 61.19 5.17 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 108.99 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . 0.419 HH11 ' HG3' ' B' ' 4' ' ' ARG . 34.7 mtm-85 -62.85 -40.02 96.17 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.51 -0.744 . . . . 0.0 109.216 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.511 HG23 ' N ' ' B' ' 6' ' ' LEU . 8.0 t -59.97 -42.31 93.86 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.17 -0.956 . . . . 0.0 109.329 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.511 ' N ' HG23 ' B' ' 5' ' ' THR . 58.8 tp -63.29 -40.14 96.54 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.184 -0.947 . . . . 0.0 109.401 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.1 mt -64.99 -39.09 92.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.357 -0.84 . . . . 0.0 109.913 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.01 87.7 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.054 -1.029 . . . . 0.0 108.676 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.99 -47.29 60.81 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 108.736 -1.746 . . . . 0.0 108.736 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.99 -48.76 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.427 -1.043 . . . . 0.0 109.077 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.02 -43.31 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.295 -0.878 . . . . 0.0 109.037 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . 0.449 ' NE2' HE22 ' C' ' 110' ' ' GLN . 63.9 tt0 -61.64 -39.99 93.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.365 -0.834 . . . . 0.0 109.232 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.94 -41.91 92.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.209 -0.932 . . . . 0.0 109.458 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' GLN . . . . . 0.411 HE21 ' HG3' ' A' ' 14' ' ' GLN . 94.5 mt-30 -60.52 -42.03 95.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.112 -0.992 . . . . 0.0 109.029 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.0 -47.09 87.25 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.334 -0.854 . . . . 0.0 109.215 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.16 -42.07 94.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.246 -0.909 . . . . 0.0 109.649 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.5 -43.03 99.8 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.24 -0.913 . . . . 0.0 108.776 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.426 HD21 HE21 ' B' ' 108' ' ' GLN . 58.9 tp -60.1 -44.46 94.82 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.514 -0.741 . . . . 0.0 109.283 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -60.1 -46.24 90.26 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.173 -0.955 . . . . 0.0 109.915 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.59 -39.98 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.968 -1.082 . . . . 0.0 109.441 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.06 -41.8 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -60.66 -41.37 94.89 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.599 -0.688 . . . . 0.0 109.38 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ARG . . . . . 0.492 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 32.1 mmt180 -60.74 -40.61 93.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.335 -0.853 . . . . 0.0 109.831 -179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.54 -39.94 89.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.155 -0.965 . . . . 0.0 109.119 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -60.06 -45.96 91.13 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.21 -0.931 . . . . 0.0 109.195 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -65.1 -40.03 93.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.097 -1.002 . . . . 0.0 109.401 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 tp -64.21 -40.13 95.42 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.309 -0.87 . . . . 0.0 109.253 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.12 -40.04 88.35 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.477 -0.765 . . . . 0.0 109.455 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.0 -40.51 93.82 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.259 -0.901 . . . . 0.0 109.691 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.591 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.9 mt -63.09 -40.55 97.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.189 -0.945 . . . . 0.0 109.646 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 82.7 p -62.69 -39.99 95.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.15 -0.969 . . . . 0.0 109.403 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.1 t -62.31 -40.05 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.247 -0.908 . . . . 0.0 109.257 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -60.01 -42.5 94.44 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.27 -0.894 . . . . 0.0 110.095 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -48.87 83.94 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.714 -1.355 . . . . 0.0 109.714 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.0 -49.99 75.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.057 -1.261 . . . . 0.0 109.982 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -61.09 -39.95 91.86 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.163 -0.961 . . . . 0.0 109.974 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.45 HD21 HH21 ' B' ' 41' ' ' ARG . 42.3 t30 -60.03 -40.97 91.18 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.102 -0.999 . . . . 0.0 109.232 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.53 -40.08 90.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.142 -0.974 . . . . 0.0 109.855 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -59.95 -40.26 88.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.091 -1.006 . . . . 0.0 109.792 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 55.9 p -60.18 -40.29 89.47 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.003 -1.06 . . . . 0.0 108.407 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ARG . . . . . 0.539 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 36.4 mtt-85 -68.99 -39.91 79.1 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.513 -0.742 . . . . 0.0 109.026 178.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.96 -42.63 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.178 -0.951 . . . . 0.0 108.623 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 55.9 p -60.08 -39.98 87.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.046 -1.034 . . . . 0.0 109.044 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.9 95.08 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.02 -39.34 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.628 -0.67 . . . . 0.0 109.34 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.195 -0.94 . . . . 0.0 109.416 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -64.46 -40.4 95.64 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.819 -1.175 . . . . 0.0 109.633 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 55.1 m-85 -65.85 -39.7 91.01 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.976 -1.077 . . . . 0.0 109.637 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LEU . . . . . 0.436 HD22 HE22 ' A' ' 52' ' ' GLN . 82.1 mt -60.13 -39.84 87.68 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.153 -0.967 . . . . 0.0 108.615 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.11 -39.97 88.05 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.941 -1.1 . . . . 0.0 108.589 178.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -60.0 -39.22 85.01 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.266 -0.896 . . . . 0.0 108.994 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.818 HE21 HD21 ' C' ' 74' ' ' ASN . 18.8 mt-30 -59.94 -40.06 87.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.009 -1.057 . . . . 0.0 109.088 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.9 -40.06 75.56 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -60.02 -39.66 86.62 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 90.3 mt -68.54 114.89 7.34 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.305 -0.872 . . . . 0.0 108.734 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.776 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 75.2 m-80 -134.91 -65.34 0.63 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.449 -0.782 . . . . 0.0 110.565 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.77 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.24 116.41 4.28 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.285 -0.884 . . . . 0.0 109.827 -178.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' TRP . . . . . 0.78 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 82.2 m95 -99.89 125.11 45.81 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.316 -0.865 . . . . 0.0 110.215 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 65.23 27.51 72.48 Favored Glycine 0 N--CA 1.491 2.357 0 C-N-CA 120.006 -1.092 . . . . 0.0 110.602 178.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ALA . . . . . 0.473 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -75.87 22.86 0.14 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.652 -1.499 . . . . 0.0 108.932 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.87 115.7 2.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.299 -0.876 . . . . 0.0 109.583 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' PHE . . . . . 0.46 ' CG ' ' NE2' ' C' ' 64' ' ' GLN . 33.0 m-85 -117.95 12.37 13.71 Favored 'General case' 0 N--CA 1.509 2.481 0 O-C-N 121.326 -0.859 . . . . 0.0 110.761 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.425 ' HG3' HH11 ' B' ' 63' ' ' ARG . 2.5 ptm180 -137.62 24.72 2.88 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 177.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLN . . . . . 0.464 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 30.1 mt-30 -143.77 152.7 41.57 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.62 56.36 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.15 157.88 43.27 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.534 -0.729 . . . . 0.0 110.085 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -129.99 134.8 47.67 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' THR . . . . . 0.56 HG23 ' O ' ' B' ' 68' ' ' THR . 7.2 t -89.48 113.6 24.99 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.471 -1.393 . . . . 0.0 109.578 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.64 122.81 48.76 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.776 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 75.5 t -129.7 83.82 63.2 Favored Pre-proline 0 N--CA 1.495 1.817 0 O-C-N 121.562 -0.711 . . . . 0.0 109.597 -179.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -85.78 62.95 5.44 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 122.754 2.303 . . . . 0.0 111.328 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' TRP . . . . . 0.41 ' O ' ' C ' ' B' ' 73' ' ' PRO . 13.5 t90 -69.89 130.74 89.75 Favored Pre-proline 0 N--CA 1.489 1.524 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' B' ' 72' ' ' TRP . 84.9 Cg_exo -39.61 147.99 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.17 0 C-N-CA 121.371 1.38 . . . . 0.0 110.974 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' ASN . . . . . 0.843 HD21 HE21 ' A' ' 52' ' ' GLN . 2.5 t-20 -132.12 -35.95 1.18 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.293 -0.88 . . . . 0.0 109.331 -179.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.57 126.88 42.07 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.2 t -81.01 109.67 15.82 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -77.16 138.62 39.59 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.555 0.693 . . . . 0.0 109.495 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' THR . . . . . 0.748 ' O ' HG23 ' B' ' 78' ' ' THR . 10.0 t -139.13 85.61 15.59 Favored Pre-proline 0 N--CA 1.494 1.731 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' PRO . . . . . 0.412 ' CD ' ' H ' ' B' ' 80' ' ' LYS . 17.5 Cg_endo -102.28 -44.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 123.676 2.917 . . . . 0.0 114.349 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' LYS . . . . . 0.412 ' H ' ' CD ' ' B' ' 79' ' ' PRO . 55.8 tttm -79.86 -47.82 14.5 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.231 -0.918 . . . . 0.0 112.982 -176.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' TRP . . . . . 0.45 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.2 p90 -82.93 -43.92 15.94 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.384 -1.448 . . . . 0.0 112.361 -177.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' ASN . . . . . 0.536 ' OD1' ' NH2' ' A' ' 41' ' ' ARG . 38.2 t30 -68.91 -40.06 79.31 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.391 -1.443 . . . . 0.0 110.752 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -59.99 -49.96 75.64 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.965 -1.084 . . . . 0.0 109.978 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -60.47 -42.04 95.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.851 -1.156 . . . . 0.0 109.831 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 77.6 p -69.87 -40.07 75.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.134 -0.979 . . . . 0.0 109.51 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -67.38 -40.04 85.69 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.139 -0.975 . . . . 0.0 109.779 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.04 -41.21 91.8 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.883 -1.136 . . . . 0.0 108.784 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -60.01 -43.6 95.14 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.818 -1.176 . . . . 0.0 108.167 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' TRP . . . . . 0.554 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 66.5 t90 -59.97 -50.05 75.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.531 -0.73 . . . . 0.0 109.69 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -66.54 -40.64 89.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.36 -0.837 . . . . 0.0 109.375 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' B' ' 91' ' ' ARG . 32.9 mtt-85 -65.18 -40.03 93.7 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.309 -0.869 . . . . 0.0 109.92 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -60.16 -43.29 95.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.98 -1.075 . . . . 0.0 108.838 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.12 -40.8 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.356 -0.84 . . . . 0.0 109.509 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -59.98 -45.35 92.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.215 -0.928 . . . . 0.0 110.278 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -64.5 -40.37 95.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.939 -1.101 . . . . 0.0 109.579 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.8 -40.46 91.9 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.172 -0.955 . . . . 0.0 109.375 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.71 -42.7 99.78 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.049 -1.032 . . . . 0.0 109.2 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.98 -47.91 83.86 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.236 -0.915 . . . . 0.0 109.346 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 99' ' ' ASN . . . . . 0.471 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 28.3 t-20 -59.99 -44.65 94.38 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.35 -0.844 . . . . 0.0 108.984 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.15 -46.8 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.284 -0.885 . . . . 0.0 109.729 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 43.3 p -59.94 -41.97 93.0 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.944 -1.097 . . . . 0.0 109.296 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.95 75.66 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.261 -0.899 . . . . 0.0 109.437 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.02 -43.47 95.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.337 -0.852 . . . . 0.0 109.484 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.19 -41.71 98.6 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.21 -0.931 . . . . 0.0 109.443 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.99 -46.81 88.25 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.055 -1.028 . . . . 0.0 109.119 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -62.76 -40.52 97.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.281 -0.887 . . . . 0.0 108.891 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.78 97.0 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.313 -0.867 . . . . 0.0 109.462 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 108' ' ' GLN . . . . . 0.426 HE21 HD21 ' B' ' 18' ' ' LEU . 86.4 mm-40 -59.98 -48.35 82.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.057 -1.027 . . . . 0.0 108.862 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.28 -50.08 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.387 -0.821 . . . . 0.0 109.613 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 110' ' ' GLN . . . . . 0.44 HE22 ' NE2' ' A' ' 12' ' ' GLN . 88.8 mt-30 -68.8 -40.05 79.8 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.244 -0.91 . . . . 0.0 109.663 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -60.59 -49.73 76.38 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.214 -0.929 . . . . 0.0 109.432 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.11 -39.94 90.35 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.342 -0.848 . . . . 0.0 109.238 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -63.89 -40.08 95.68 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.267 -0.895 . . . . 0.0 109.893 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -65.41 -44.26 88.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.944 -1.097 . . . . 0.0 109.557 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 52.1 ttm -69.07 -39.92 78.79 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.04 -50.0 75.46 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.72 -40.0 90.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.149 -0.969 . . . . 0.0 109.397 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.01 -41.73 92.8 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.439 -0.788 . . . . 0.0 109.482 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 119' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.3 mt-30 -61.72 -40.69 95.94 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.089 -1.007 . . . . 0.0 109.607 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -59.98 -39.94 87.4 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.41 -0.806 . . . . 0.0 109.46 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 90.5 mt -58.74 -46.42 87.47 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -125.6 61.04 1.24 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.515 -0.741 . . . . 0.0 109.47 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 123' ' ' SER . . . . . 0.464 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.3 p . . . . . 0 N--CA 1.497 1.875 0 O-C-N 121.04 -1.038 . . . . 0.0 109.137 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -69.02 143.45 54.33 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.332 -0.855 . . . . 0.0 109.031 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -90.02 61.17 5.15 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.215 -0.928 . . . . 0.0 108.934 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' ARG . . . . . 0.432 ' HG3' HH11 ' C' ' 4' ' ' ARG . 34.3 mtm-85 -62.83 -39.92 95.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.488 -0.757 . . . . 0.0 109.235 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . 0.525 HG23 ' N ' ' C' ' 6' ' ' LEU . 8.2 t -60.02 -43.08 95.49 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.168 -0.958 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' LEU . . . . . 0.525 ' N ' HG23 ' C' ' 5' ' ' THR . 58.9 tp -62.42 -40.22 95.86 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.047 -1.033 . . . . 0.0 109.42 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.2 mt -64.8 -39.21 93.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.287 -0.883 . . . . 0.0 109.992 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.98 -1.075 . . . . 0.0 108.73 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.78 -47.41 61.25 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 108.672 -1.771 . . . . 0.0 108.672 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.04 -48.81 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.372 -1.075 . . . . 0.0 108.933 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 78.6 t -59.96 -43.27 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.309 -0.869 . . . . 0.0 108.945 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' GLN . . . . . 0.447 ' NE2' HE22 ' A' ' 110' ' ' GLN . 63.9 tt0 -61.59 -40.11 93.58 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.303 -0.873 . . . . 0.0 109.25 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.94 -41.95 92.95 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.204 -0.935 . . . . 0.0 109.524 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' GLN . . . . . 0.438 ' HG3' HE21 ' A' ' 14' ' ' GLN . 94.0 mt-30 -60.26 -42.06 94.58 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.958 -1.089 . . . . 0.0 109.084 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.98 -47.11 87.18 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.337 -0.852 . . . . 0.0 109.247 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -59.95 -42.39 93.96 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.878 . . . . 0.0 109.72 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.29 -43.06 99.69 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.236 -0.915 . . . . 0.0 108.865 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . 0.441 HD21 HE21 ' C' ' 108' ' ' GLN . 59.9 tp -60.06 -44.66 94.56 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.473 -0.767 . . . . 0.0 109.182 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -59.94 -46.78 88.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.205 -0.934 . . . . 0.0 109.896 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.14 -40.02 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.019 -1.05 . . . . 0.0 109.49 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.01 -41.81 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.193 -0.942 . . . . 0.0 108.474 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.67 -41.13 94.46 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.605 -0.684 . . . . 0.0 109.436 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' ARG . . . . . 0.462 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 32.0 mmt180 -60.72 -41.06 94.52 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.244 -0.91 . . . . 0.0 109.695 -179.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.15 -39.86 87.86 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.127 -0.983 . . . . 0.0 109.228 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -60.07 -46.12 90.61 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.255 -0.903 . . . . 0.0 109.21 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.98 -39.96 94.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.007 -1.058 . . . . 0.0 109.446 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.4 tp -64.28 -40.08 95.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.313 -0.867 . . . . 0.0 109.184 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 20.7 mt -60.26 -40.04 88.93 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.419 -0.801 . . . . 0.0 109.464 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.05 -40.32 93.17 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.247 -0.908 . . . . 0.0 109.599 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' LEU . . . . . 0.565 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.8 mt -63.23 -40.37 97.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.18 -0.95 . . . . 0.0 109.723 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.9 p -62.89 -39.96 96.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.091 -1.005 . . . . 0.0 109.363 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -62.51 -39.97 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.261 -0.899 . . . . 0.0 109.218 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -60.02 -42.33 94.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.221 -0.924 . . . . 0.0 110.05 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.17 -48.68 84.94 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -50.04 75.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.163 -1.198 . . . . 0.0 110.025 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -61.26 -40.03 92.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.097 -1.002 . . . . 0.0 110.02 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' ASN . . . . . 0.475 HD21 HH21 ' C' ' 41' ' ' ARG . 42.8 t30 -60.05 -40.82 90.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.133 -0.979 . . . . 0.0 109.156 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.69 -39.96 90.42 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.258 -0.901 . . . . 0.0 109.881 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -60.05 -40.48 89.56 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.025 -1.047 . . . . 0.0 109.784 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 58.6 p -59.96 -40.2 88.22 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.972 -1.08 . . . . 0.0 108.419 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' ARG . . . . . 0.52 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 36.8 mtt-85 -69.01 -39.97 78.96 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.51 -0.744 . . . . 0.0 109.006 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.05 -42.59 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.256 -0.903 . . . . 0.0 108.681 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 56.2 p -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.007 -1.058 . . . . 0.0 109.073 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.86 95.2 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.9 mt -60.04 -39.36 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.01 -39.95 87.57 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.144 -0.973 . . . . 0.0 109.396 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -64.42 -40.12 95.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.891 -1.131 . . . . 0.0 109.713 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 55.0 m-85 -66.25 -39.72 89.7 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.974 -1.079 . . . . 0.0 109.518 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 49' ' ' LEU . . . . . 0.441 HD22 HE22 ' B' ' 52' ' ' GLN . 82.2 mt -60.03 -39.98 87.75 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.153 -0.967 . . . . 0.0 108.639 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -59.98 -40.01 87.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.862 -1.149 . . . . 0.0 108.665 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 51' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' C' ' 51' ' ' ASP . 37.5 t0 -59.99 -39.06 84.43 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.291 -0.881 . . . . 0.0 109.012 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 52' ' ' GLN . . . . . 0.799 HE21 HD21 ' A' ' 74' ' ' ASN . 18.9 mt-30 -60.02 -39.99 87.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.965 -1.084 . . . . 0.0 109.101 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.01 -39.93 75.67 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -60.1 -39.7 87.07 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 90.0 mt -68.42 114.76 7.13 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.315 -0.866 . . . . 0.0 108.775 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 56' ' ' ASN . . . . . 0.781 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 75.0 m-80 -134.8 -65.55 0.63 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.418 -0.801 . . . . 0.0 110.685 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . 0.78 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -153.93 116.31 4.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.283 -0.886 . . . . 0.0 109.763 -178.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 58' ' ' TRP . . . . . 0.762 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 82.8 m95 -99.99 125.16 45.99 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.381 -0.824 . . . . 0.0 110.068 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 59' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 65.21 27.53 72.49 Favored Glycine 0 N--CA 1.489 2.207 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.668 178.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 60' ' ' ALA . . . . . 0.48 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -75.93 22.72 0.14 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.683 -1.48 . . . . 0.0 108.925 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 61' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.66 115.77 2.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.087 -1.008 . . . . 0.0 109.61 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 62' ' ' PHE . . . . . 0.452 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 32.6 m-85 -118.07 12.21 13.56 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 121.33 -0.857 . . . . 0.0 110.731 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . 0.422 ' HG3' HH11 ' C' ' 63' ' ' ARG . 2.5 ptm180 -137.61 24.67 2.89 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 177.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 64' ' ' GLN . . . . . 0.46 ' NE2' ' CG ' ' B' ' 62' ' ' PHE . 30.0 mt-30 -143.71 152.55 41.43 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -102.4 56.1 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.11 157.88 43.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.414 -0.804 . . . . 0.0 110.158 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -129.96 134.92 47.77 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 68' ' ' THR . . . . . 0.571 ' O ' HG23 ' C' ' 68' ' ' THR . 7.4 t -89.43 113.42 24.76 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.512 -1.367 . . . . 0.0 109.581 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.44 122.71 48.49 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 70' ' ' VAL . . . . . 0.781 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 78.0 t -129.78 84.01 62.4 Favored Pre-proline 0 N--CA 1.494 1.76 0 O-C-N 121.544 -0.723 . . . . 0.0 109.577 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -85.77 63.12 5.47 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.783 2.322 . . . . 0.0 111.399 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -69.94 130.75 89.66 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.531 -0.731 . . . . 0.0 109.042 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -39.55 147.78 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.181 0 C-N-CA 121.386 1.391 . . . . 0.0 111.054 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 74' ' ' ASN . . . . . 0.818 HD21 HE21 ' B' ' 52' ' ' GLN . 2.5 t-20 -132.18 -35.65 1.19 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.448 -0.783 . . . . 0.0 109.39 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.8 126.91 42.29 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 1.1 t -80.94 109.99 16.05 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 45.6 mt -77.61 138.48 39.15 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.564 0.697 . . . . 0.0 109.402 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 78' ' ' THR . . . . . 0.72 HG23 ' O ' ' C' ' 78' ' ' THR . 10.0 t -139.0 85.63 15.81 Favored Pre-proline 0 N--CA 1.492 1.667 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 79' ' ' PRO . . . . . 0.415 ' CD ' ' H ' ' C' ' 80' ' ' LYS . 17.8 Cg_endo -102.19 -44.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 123.597 2.865 . . . . 0.0 114.328 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 80' ' ' LYS . . . . . 0.415 ' H ' ' CD ' ' C' ' 79' ' ' PRO . 55.5 tttm -79.46 -48.06 14.58 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.181 -0.949 . . . . 0.0 113.066 -176.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 81' ' ' TRP . . . . . 0.523 ' CE2' ' OG1' ' C' ' 78' ' ' THR . 4.2 p90 -82.66 -43.64 16.69 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.441 -1.412 . . . . 0.0 112.476 -177.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 82' ' ' ASN . . . . . 0.539 ' OD1' ' NH2' ' B' ' 41' ' ' ARG . 37.7 t30 -69.2 -40.06 78.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.336 -1.478 . . . . 0.0 110.786 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -60.0 -49.97 75.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.922 -1.111 . . . . 0.0 109.88 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -60.53 -42.15 95.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.884 -1.135 . . . . 0.0 109.806 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 77.4 p -69.85 -39.91 76.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.154 -0.966 . . . . 0.0 109.512 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -67.46 -40.05 85.33 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.184 -0.948 . . . . 0.0 109.774 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.03 -41.27 91.88 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.8 -1.187 . . . . 0.0 108.763 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -60.0 -43.62 95.08 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.865 -1.147 . . . . 0.0 108.104 178.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 89' ' ' TRP . . . . . 0.591 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 66.0 t90 -60.03 -50.08 75.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.46 -0.775 . . . . 0.0 109.578 179.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.35 -40.62 89.94 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.392 -0.817 . . . . 0.0 109.485 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . 0.453 HH11 ' HG2' ' C' ' 91' ' ' ARG . 32.8 mtt-85 -65.33 -39.93 93.06 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.2 -0.938 . . . . 0.0 109.93 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -60.28 -42.88 96.37 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.95 -1.094 . . . . 0.0 108.798 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.36 -41.02 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.401 -0.812 . . . . 0.0 109.421 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -59.9 -45.12 93.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.0 110.429 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -64.55 -40.09 94.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.909 -1.119 . . . . 0.0 109.657 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.42 -40.4 89.52 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.186 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.64 -42.81 99.81 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.109 -0.994 . . . . 0.0 109.104 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.93 -47.7 84.72 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.37 -0.831 . . . . 0.0 109.455 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 99' ' ' ASN . . . . . 0.492 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.8 t-20 -60.05 -44.47 94.67 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.318 -0.864 . . . . 0.0 109.051 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.26 -46.68 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.275 -0.891 . . . . 0.0 109.721 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 43.8 p -59.99 -42.01 93.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.024 -1.048 . . . . 0.0 109.18 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.99 75.48 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.282 -0.887 . . . . 0.0 109.522 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.05 -43.22 95.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.286 -0.884 . . . . 0.0 109.614 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.35 -41.8 98.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 0.0 109.301 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.08 -46.47 89.47 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.185 -0.947 . . . . 0.0 108.908 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -63.02 -40.08 96.67 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.282 -0.886 . . . . 0.0 109.041 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.45 98.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.404 -0.81 . . . . 0.0 109.43 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 108' ' ' GLN . . . . . 0.441 HE21 HD21 ' C' ' 18' ' ' LEU . 86.4 mm-40 -60.09 -48.51 81.41 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.079 -1.013 . . . . 0.0 108.847 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.25 -49.98 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 121.35 -0.844 . . . . 0.0 109.726 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . 0.449 HE22 ' NE2' ' B' ' 12' ' ' GLN . 88.4 mt-30 -68.8 -40.21 79.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.142 -0.974 . . . . 0.0 109.512 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -60.45 -49.98 75.42 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.322 -0.861 . . . . 0.0 109.474 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -65.84 -40.03 91.37 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.287 -0.883 . . . . 0.0 109.277 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -63.9 -40.16 95.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.349 -0.844 . . . . 0.0 109.977 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.45 -44.12 88.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.026 -1.046 . . . . 0.0 109.443 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 52.4 ttm -69.05 -40.0 78.82 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -60.02 -49.99 75.5 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.483 -0.761 . . . . 0.0 109.175 179.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.7 -40.11 91.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.189 -0.944 . . . . 0.0 109.257 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.04 -41.67 92.76 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.292 -0.88 . . . . 0.0 109.398 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 119' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.4 mt-30 -61.72 -40.78 96.26 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.065 -1.022 . . . . 0.0 109.612 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -59.97 -39.5 85.88 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.437 -0.789 . . . . 0.0 109.763 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 90.3 mt -58.96 -46.45 88.03 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -125.94 61.14 1.26 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.61 -0.682 . . . . 0.0 109.408 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 123' ' ' SER . . . . . 0.462 ' N ' ' O ' ' C' ' 119' ' ' GLN . 2.3 p . . . . . 0 N--CA 1.495 1.798 0 O-C-N 120.998 -1.064 . . . . 0.0 109.098 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.521 HE22 ' NE2' ' C' ' 2' ' ' GLN . 96.3 mm-40 -68.88 145.08 54.0 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.872 -1.142 . . . . 0.0 108.702 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 t -88.82 62.15 6.27 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.075 -1.015 . . . . 0.0 109.32 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -64.46 -40.17 95.2 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.351 -0.843 . . . . 0.0 109.028 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 6' ' ' LEU . 2.4 t -59.96 -44.94 94.11 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.237 -0.914 . . . . 0.0 109.592 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.448 ' N ' HG23 ' A' ' 5' ' ' THR . 59.2 tp -60.21 -42.16 94.55 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 21.7 mt -62.55 -40.04 95.57 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.551 -0.718 . . . . 0.0 109.358 179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.88 -45.61 91.96 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.77 -46.1 94.35 Favored Glycine 0 N--CA 1.487 2.089 0 N-CA-C 108.807 -1.717 . . . . 0.0 108.807 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.14 -48.41 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.361 -1.082 . . . . 0.0 109.663 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.7 t -60.24 -42.95 92.25 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 121.032 -1.043 . . . . 0.0 109.322 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -60.98 -39.89 91.36 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.427 -0.795 . . . . 0.0 109.686 179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.96 -41.72 92.53 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.234 -0.916 . . . . 0.0 109.374 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -61.99 -40.01 94.15 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.017 -1.052 . . . . 0.0 109.397 179.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.3 -45.66 92.6 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.308 -0.87 . . . . 0.0 109.314 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.419 HE22 ' N ' ' B' ' 107' ' ' ALA . 29.0 mt-30 -61.99 -43.5 98.71 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.897 . . . . 0.0 109.611 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.0 mt -60.57 -43.17 97.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.101 -1.0 . . . . 0.0 109.72 179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.6 tp -60.19 -43.23 96.06 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.121 -0.987 . . . . 0.0 109.289 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.6 t0 -59.98 -47.59 85.17 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.092 -1.005 . . . . 0.0 109.449 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 91.2 t -60.62 -40.09 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.495 0 O-C-N 121.306 -0.871 . . . . 0.0 109.965 -179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.53 -42.98 93.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.223 -0.923 . . . . 0.0 108.618 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -63.32 -40.17 96.58 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.446 -0.784 . . . . 0.0 109.01 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.531 HH11 HD23 ' B' ' 96' ' ' LEU . 30.5 mmt180 -60.8 -40.5 92.91 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.259 -0.901 . . . . 0.0 109.303 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.67 -39.97 90.37 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.184 -0.948 . . . . 0.0 109.133 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 71.5 tp60 -59.99 -50.05 75.26 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.38 -0.825 . . . . 0.0 109.622 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -60.38 -44.31 95.75 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.883 -1.135 . . . . 0.0 109.357 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 44.6 tp -60.24 -41.32 92.9 Favored 'General case' 0 N--CA 1.486 1.354 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 24.8 mt -60.84 -40.37 92.6 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.445 -0.784 . . . . 0.0 109.006 178.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.461 HH12 ' CD ' ' A' ' 97' ' ' GLU . 50.8 mtt-85 -62.14 -41.79 98.61 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.233 -0.917 . . . . 0.0 109.138 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.537 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 94.2 mt -61.89 -41.48 97.94 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.134 -0.979 . . . . 0.0 109.591 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.5 p -62.72 -40.05 95.97 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.179 -0.951 . . . . 0.0 110.002 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.43 -41.52 87.76 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.367 0 O-C-N 121.165 -0.96 . . . . 0.0 109.241 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -60.04 -41.55 92.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.091 -1.005 . . . . 0.0 110.36 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.06 -50.14 70.97 Favored Glycine 0 N--CA 1.483 1.79 0 C-N-CA 119.25 -1.452 . . . . 0.0 110.262 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -60.27 -50.11 74.92 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.036 -1.273 . . . . 0.0 110.719 -179.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.51 -40.0 89.8 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.126 -0.984 . . . . 0.0 109.97 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.502 HD21 HH21 ' A' ' 41' ' ' ARG . 44.4 t-20 -60.01 -40.54 89.61 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.954 -1.092 . . . . 0.0 109.745 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.5 mt -60.26 -40.59 90.87 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.067 -1.02 . . . . 0.0 109.905 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -60.04 -41.12 91.59 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.867 -1.146 . . . . 0.0 110.081 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 65.2 p -60.14 -42.18 94.28 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 120.935 -1.103 . . . . 0.0 108.695 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.506 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 41.7 mtt-85 -65.07 -39.87 93.85 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 108.758 -0.83 . . . . 0.0 108.758 178.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.3 t -59.95 -42.31 89.01 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.262 -0.899 . . . . 0.0 109.041 -179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 40.4 p -59.77 -40.35 87.91 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.759 -1.213 . . . . 0.0 109.825 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.03 96.89 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.086 -1.009 . . . . 0.0 108.935 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.06 -39.45 80.41 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 O-C-N 121.412 -0.805 . . . . 0.0 109.326 179.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.88 -40.35 88.43 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.033 -1.042 . . . . 0.0 109.898 -178.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -64.14 -40.29 95.85 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.096 -1.003 . . . . 0.0 109.994 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.544 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 61.8 m-85 -67.46 -38.79 84.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.776 -1.203 . . . . 0.0 110.1 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.84 -39.89 86.7 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.735 -1.228 . . . . 0.0 109.26 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -60.46 -39.61 88.2 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 120.888 -1.133 . . . . 0.0 108.765 178.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -60.03 -40.0 87.8 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.435 -0.791 . . . . 0.0 109.019 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' A' ' 48' ' ' TYR . 0.9 OUTLIER -59.78 -39.65 85.61 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.077 -1.015 . . . . 0.0 109.436 179.595 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.402 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.75 -35.23 74.18 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 120.958 -1.089 . . . . 0.0 108.678 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.94 -39.69 86.4 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.157 -0.965 . . . . 0.0 109.002 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 71.8 mt -71.35 113.34 8.28 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.855 -1.153 . . . . 0.0 108.903 179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -134.53 -70.77 0.5 Allowed 'General case' 0 N--CA 1.499 2.003 0 O-C-N 121.248 -0.907 . . . . 0.0 109.821 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.88 100.9 3.13 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.381 -0.824 . . . . 0.0 109.318 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.45 ' C ' ' H ' ' A' ' 60' ' ' ALA . 71.8 m95 -115.95 150.44 37.14 Favored 'General case' 0 N--CA 1.5 2.071 0 CA-C-O 121.447 0.641 . . . . 0.0 110.442 -179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.447 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 55.06 7.46 1.12 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.778 -1.329 . . . . 0.0 109.778 179.159 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.45 ' H ' ' C ' ' A' ' 58' ' ' TRP . . . -76.24 23.89 0.14 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.184 -1.186 . . . . 0.0 109.273 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.519 ' HB1' ' NE2' ' A' ' 64' ' ' GLN . . . -156.97 113.87 3.06 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.111 -0.993 . . . . 0.0 109.871 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -106.82 13.09 28.27 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 121.406 -0.809 . . . . 0.0 110.175 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.689 HH21 HH21 ' B' ' 63' ' ' ARG . 42.6 mtt-85 -121.96 23.21 10.1 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 177.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.542 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -149.7 151.65 34.04 Favored 'General case' 0 N--CA 1.489 1.493 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.227 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.0 t -107.36 60.04 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.018 0 O-C-N 121.077 -1.014 . . . . 0.0 109.057 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.37 157.99 42.06 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.475 -0.765 . . . . 0.0 109.854 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -126.26 132.78 51.62 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.417 ' O ' HG23 ' A' ' 68' ' ' THR . 4.7 t -97.82 119.56 36.63 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-O 121.94 0.876 . . . . 0.0 110.499 -178.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.576 ' O ' HG23 ' A' ' 69' ' ' THR . 15.0 t -115.36 121.19 42.06 Favored 'General case' 0 N--CA 1.495 1.784 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.6 t -124.98 86.34 56.72 Favored Pre-proline 0 N--CA 1.499 2.003 0 O-C-N 121.478 -0.764 . . . . 0.0 109.58 -179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -83.92 66.35 7.14 Favored 'Trans proline' 0 N--CA 1.49 1.268 0 C-N-CA 122.669 2.246 . . . . 0.0 111.91 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.416 ' O ' ' C ' ' A' ' 73' ' ' PRO . 22.7 t90 -69.57 132.64 89.17 Favored Pre-proline 0 N--CA 1.488 1.471 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.416 ' C ' ' O ' ' A' ' 72' ' ' TRP . 80.1 Cg_exo -40.01 148.69 0.15 Allowed 'Trans proline' 0 C--N 1.316 -1.156 0 C-N-CA 121.22 1.28 . . . . 0.0 111.147 179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.554 ' O ' ' CD1' ' C' ' 48' ' ' TYR . 8.4 t-20 -130.3 -53.65 1.1 Allowed 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.21 124.07 33.48 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 12.0 m -80.46 110.06 15.55 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 119.008 -1.077 . . . . 0.0 108.173 -178.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 24.8 mt -79.69 136.82 36.89 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.62 0.724 . . . . 0.0 109.75 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 78' ' ' THR . 5.7 t -89.64 114.5 60.82 Favored Pre-proline 0 C--N 1.298 -1.641 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -90.54 -47.54 0.02 OUTLIER 'Trans proline' 0 N--CA 1.485 1.023 0 C-N-CA 121.738 1.626 . . . . 0.0 113.664 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -122.1 -43.87 2.31 Favored 'General case' 0 N--CA 1.506 2.375 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 -177.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.609 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.8 p90 -60.21 -47.44 85.93 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.306 -1.496 . . . . 0.0 112.749 -175.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.609 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.9 t30 -73.85 -46.99 41.54 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 119.893 -1.754 . . . . 0.0 110.697 -179.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -60.18 -50.07 75.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.061 -1.024 . . . . 0.0 110.4 -177.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.6 -43.43 98.84 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.613 -1.305 . . . . 0.0 109.553 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 81' ' ' TRP . 69.3 p -69.71 -39.96 76.56 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.252 -0.905 . . . . 0.0 109.713 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -68.96 -40.02 79.12 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 120.879 -1.138 . . . . 0.0 109.475 -179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.13 -41.76 93.35 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.628 -1.295 . . . . 0.0 108.771 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.31 -41.18 96.57 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.038 -1.039 . . . . 0.0 108.566 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.534 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 71.6 t90 -60.12 -50.04 75.25 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.479 -0.763 . . . . 0.0 109.154 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.63 -42.47 98.93 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.225 -0.922 . . . . 0.0 109.819 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -61.96 -41.69 98.28 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.105 -0.997 . . . . 0.0 110.549 -179.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -60.39 -41.07 93.07 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.847 -1.158 . . . . 0.0 109.268 179.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.45 -40.22 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.404 0 O-C-N 121.437 -0.789 . . . . 0.0 109.447 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.37 -40.65 97.14 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.278 -0.889 . . . . 0.0 110.871 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -69.86 -40.18 75.9 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.869 -1.144 . . . . 0.0 109.569 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.541 HD23 HH11 ' C' ' 23' ' ' ARG . 96.1 mt -68.24 -40.02 82.11 Favored 'General case' 0 N--CA 1.485 1.324 0 O-C-N 120.928 -1.108 . . . . 0.0 108.843 179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.461 ' CD ' HH12 ' A' ' 29' ' ' ARG . 88.5 tt0 -60.65 -45.49 93.89 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.145 -0.972 . . . . 0.0 109.835 179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.63 -40.03 95.85 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.132 -0.98 . . . . 0.0 109.562 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -64.46 -40.03 94.93 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.406 -0.809 . . . . 0.0 110.263 -179.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.2 mt -66.02 -40.2 86.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.99 -1.069 . . . . 0.0 109.47 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 41.4 p -63.34 -42.05 98.92 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.048 -1.032 . . . . 0.0 109.647 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.86 -46.5 84.69 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.089 -1.007 . . . . 0.0 109.348 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.8 mt -60.45 -46.17 91.03 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.444 -0.785 . . . . 0.0 109.471 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.85 -41.3 97.66 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.045 -1.035 . . . . 0.0 109.818 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -60.1 -46.39 89.77 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.222 -0.923 . . . . 0.0 108.96 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.86 -42.37 99.73 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.351 -0.843 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.455 ' N ' HE22 ' C' ' 16' ' ' GLN . . . -60.56 -43.04 97.69 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.261 -0.899 . . . . 0.0 109.997 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.49 -43.09 97.37 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.25 -0.906 . . . . 0.0 109.988 -179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.23 -41.78 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.138 -0.976 . . . . 0.0 109.489 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 -69.85 -40.17 75.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.033 -1.042 . . . . 0.0 109.558 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.9 tp60 -60.03 -49.7 76.65 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.125 -0.984 . . . . 0.0 109.236 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.95 -42.45 99.12 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.247 -0.908 . . . . 0.0 109.35 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -62.26 -40.19 95.37 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.328 -0.858 . . . . 0.0 110.135 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -65.59 -41.62 92.64 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.878 -1.139 . . . . 0.0 109.256 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 60.5 ttm -70.03 -40.05 75.41 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.281 -0.887 . . . . 0.0 109.022 179.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.94 -45.99 90.85 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.208 -0.933 . . . . 0.0 108.758 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.79 -40.04 93.79 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.258 -0.901 . . . . 0.0 109.103 178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 61.5 tp -60.01 -40.35 88.97 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.319 -0.863 . . . . 0.0 109.106 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.8 mt-30 -61.65 -40.26 94.27 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.384 -0.823 . . . . 0.0 109.785 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 66.6 mmtt -59.95 -39.98 87.42 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.296 -0.877 . . . . 0.0 109.377 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 97.2 mt -59.22 -47.31 85.83 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -130.03 62.41 1.56 Allowed 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.456 -0.777 . . . . 0.0 109.708 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.819 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.053 179.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.485 HE22 ' NE2' ' A' ' 2' ' ' GLN . 96.1 mm-40 -68.99 144.89 54.0 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.035 -1.041 . . . . 0.0 108.615 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -88.6 61.89 6.27 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.12 -0.987 . . . . 0.0 109.462 -179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 42.5 mtm-85 -64.26 -40.02 95.13 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.203 -0.936 . . . . 0.0 109.058 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.443 HG23 ' N ' ' B' ' 6' ' ' LEU . 2.4 t -60.11 -45.4 93.12 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.28 -0.888 . . . . 0.0 109.341 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.443 ' N ' HG23 ' B' ' 5' ' ' THR . 58.8 tp -59.96 -41.89 92.91 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.102 -0.998 . . . . 0.0 108.405 179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.08 -39.84 95.88 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.55 -0.719 . . . . 0.0 109.242 179.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.01 -45.33 93.13 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.104 -0.998 . . . . 0.0 108.447 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.56 -46.25 94.16 Favored Glycine 0 N--CA 1.487 2.064 0 N-CA-C 108.818 -1.713 . . . . 0.0 108.818 178.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.1 -48.61 87.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.27 -1.135 . . . . 0.0 109.631 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 69.8 t -60.12 -42.91 91.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.147 -0.97 . . . . 0.0 109.241 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 88.7 mm-40 -61.12 -39.85 91.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.366 -0.834 . . . . 0.0 109.792 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.98 -42.18 93.59 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.36 -0.838 . . . . 0.0 109.21 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -61.46 -40.04 93.06 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.15 -0.969 . . . . 0.0 109.509 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -60.4 -45.94 91.77 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.331 -0.856 . . . . 0.0 109.354 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -61.37 -44.16 97.65 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.229 -0.919 . . . . 0.0 109.499 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.31 -43.28 96.5 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.143 -0.973 . . . . 0.0 109.694 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 55.5 tp -59.96 -43.41 95.08 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.114 -0.991 . . . . 0.0 109.234 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -60.15 -47.27 86.63 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.143 -0.973 . . . . 0.0 109.397 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 88.7 t -60.66 -40.6 85.26 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.22 -0.925 . . . . 0.0 109.786 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.13 -43.25 92.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.271 -0.893 . . . . 0.0 108.598 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -62.93 -40.32 97.27 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 179.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.475 HH11 HD23 ' C' ' 96' ' ' LEU . 30.4 mmt180 -60.73 -40.55 92.77 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.47 -0.769 . . . . 0.0 109.111 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.89 -39.96 91.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.191 -0.943 . . . . 0.0 109.243 179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 71.7 tp60 -59.95 -49.99 75.53 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.17 -0.956 . . . . 0.0 109.586 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -60.26 -44.74 95.03 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.091 -1.006 . . . . 0.0 108.985 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 43.4 tp -60.0 -41.41 92.02 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.195 -0.941 . . . . 0.0 108.584 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 24.5 mt -60.45 -40.41 91.06 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.333 -0.854 . . . . 0.0 109.163 178.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.465 HH12 ' CD ' ' B' ' 97' ' ' GLU . 49.8 mtt-85 -62.21 -41.52 98.45 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.24 -0.912 . . . . 0.0 109.152 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.492 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 91.6 mt -62.26 -41.18 98.22 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.896 -1.128 . . . . 0.0 109.614 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 64.3 p -62.83 -40.13 96.49 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.263 -0.898 . . . . 0.0 110.104 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 70.4 t -60.11 -41.45 86.57 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.381 -0.824 . . . . 0.0 109.612 -179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -60.13 -41.91 93.69 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.312 -0.868 . . . . 0.0 110.372 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -50.3 69.23 Favored Glycine 0 N--CA 1.487 2.084 0 C-N-CA 119.486 -1.34 . . . . 0.0 110.079 -179.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.06 -50.06 75.2 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.095 -1.238 . . . . 0.0 110.729 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -60.71 -40.25 91.57 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.215 -0.928 . . . . 0.0 109.89 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.495 HD21 HH21 ' B' ' 41' ' ' ARG . 44.6 t-20 -59.94 -40.45 88.99 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.138 -0.976 . . . . 0.0 109.521 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 94.0 mt -60.55 -40.21 90.76 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.128 -0.982 . . . . 0.0 110.163 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -60.23 -40.76 91.35 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 120.853 -1.154 . . . . 0.0 110.045 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.404 ' O ' ' OG1' ' B' ' 43' ' ' THR . 59.5 p -60.17 -42.12 94.29 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.249 -0.98 . . . . 0.0 108.704 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.495 HH21 HD21 ' B' ' 37' ' ' ASN . 42.0 mtt-85 -65.57 -40.03 92.34 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.297 -0.877 . . . . 0.0 108.873 178.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.1 -41.42 86.42 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 C-N-CA 119.658 -0.817 . . . . 0.0 109.25 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.404 ' OG1' ' O ' ' B' ' 40' ' ' THR . 39.5 p -60.54 -40.02 90.02 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.955 -1.091 . . . . 0.0 109.592 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.51 -43.03 97.51 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.027 -1.046 . . . . 0.0 108.896 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.0 mt -60.15 -39.76 81.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.459 -0.776 . . . . 0.0 109.28 179.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -59.65 -40.02 86.29 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.208 -0.933 . . . . 0.0 109.8 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 28.3 mmtp -64.4 -40.07 95.09 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.034 -1.041 . . . . 0.0 110.233 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 61.1 m-85 -67.62 -38.53 84.04 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.089 -1.007 . . . . 0.0 109.856 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.1 -39.91 87.82 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.746 -1.221 . . . . 0.0 109.365 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -60.2 -39.97 88.43 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.968 -1.083 . . . . 0.0 108.737 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -59.9 -39.77 86.5 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.25 -0.906 . . . . 0.0 109.118 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' B' ' 48' ' ' TYR . 0.9 OUTLIER -60.03 -39.85 87.32 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.069 -1.019 . . . . 0.0 109.288 179.657 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.14 -35.28 73.21 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.001 -1.062 . . . . 0.0 108.823 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -59.85 -39.59 85.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.144 -0.972 . . . . 0.0 108.915 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 71.6 mt -71.65 113.52 8.77 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.918 -1.114 . . . . 0.0 108.861 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.412 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 35.2 m120 -134.56 -70.6 0.5 Allowed 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.401 -0.812 . . . . 0.0 109.841 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.91 100.72 3.11 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.338 -0.851 . . . . 0.0 109.257 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.445 ' C ' ' H ' ' B' ' 60' ' ' ALA . 72.9 m95 -115.53 150.45 36.56 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.581 -0.7 . . . . 0.0 110.277 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 55.42 6.74 1.09 Allowed Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.457 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -75.88 24.23 0.13 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.111 -1.229 . . . . 0.0 109.359 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.519 ' HB1' ' NE2' ' B' ' 64' ' ' GLN . . . -157.08 113.83 3.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.342 -0.848 . . . . 0.0 110.018 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -106.97 13.25 27.81 Favored 'General case' 0 N--CA 1.504 2.242 0 O-C-N 121.338 -0.851 . . . . 0.0 110.334 179.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.771 HH21 HH21 ' C' ' 63' ' ' ARG . 41.7 mtt-85 -121.92 23.3 10.08 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 177.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.542 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.8 151.65 33.9 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 179.158 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.6 t -107.52 59.73 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.856 0 O-C-N 121.12 -0.988 . . . . 0.0 109.015 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.45 158.1 43.22 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.479 -0.763 . . . . 0.0 109.805 179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -126.44 132.68 51.42 Favored 'General case' 0 N--CA 1.496 1.87 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.416 HG23 ' O ' ' B' ' 68' ' ' THR . 4.8 t -97.84 119.42 36.41 Favored 'General case' 0 N--CA 1.498 1.966 0 CA-C-O 121.787 0.803 . . . . 0.0 110.406 -178.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.577 ' O ' HG23 ' B' ' 69' ' ' THR . 14.9 t -115.39 120.57 40.01 Favored 'General case' 0 N--CA 1.494 1.743 0 N-CA-C 108.52 -0.918 . . . . 0.0 108.52 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.412 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 92.1 t -124.38 86.66 54.7 Favored Pre-proline 0 N--CA 1.498 1.962 0 O-C-N 121.337 -0.852 . . . . 0.0 109.588 -179.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -84.12 66.46 6.98 Favored 'Trans proline' 0 N--CA 1.488 1.192 0 C-N-CA 122.642 2.228 . . . . 0.0 112.077 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' B' ' 73' ' ' PRO . 22.0 t90 -69.54 132.92 89.09 Favored Pre-proline 0 N--CA 1.489 1.494 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.401 ' C ' ' O ' ' B' ' 72' ' ' TRP . 82.1 Cg_exo -40.3 148.66 0.17 Allowed 'Trans proline' 0 C--N 1.317 -1.116 0 C-N-CA 121.179 1.253 . . . . 0.0 111.082 179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.544 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 8.5 t-20 -130.29 -53.78 1.1 Allowed 'General case' 0 N--CA 1.5 2.044 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.08 124.14 33.47 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.197 -1.408 . . . . 0.0 107.197 178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 9.5 m -80.49 109.99 15.52 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.801 -1.187 . . . . 0.0 108.066 -178.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 24.7 mt -79.2 136.92 37.23 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.617 0.722 . . . . 0.0 109.658 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.54 ' O ' HG23 ' B' ' 78' ' ' THR . 5.8 t -89.69 115.3 63.51 Favored Pre-proline 0 C--N 1.297 -1.676 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -91.34 -47.58 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.033 0 C-N-CA 121.736 1.624 . . . . 0.0 113.699 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -121.88 -44.33 2.31 Favored 'General case' 0 N--CA 1.507 2.416 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -177.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.607 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -60.11 -47.02 87.63 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.261 -1.524 . . . . 0.0 112.88 -175.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.607 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 65.0 t30 -74.25 -47.05 37.61 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 119.999 -1.688 . . . . 0.0 110.631 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -59.9 -50.14 74.93 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.078 -1.014 . . . . 0.0 110.58 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -62.87 -43.27 99.23 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.779 -1.2 . . . . 0.0 109.378 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.516 HG23 ' O ' ' B' ' 81' ' ' TRP . 68.4 p -69.72 -40.11 76.43 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.211 -0.931 . . . . 0.0 109.764 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 34.7 t-105 -68.68 -40.02 80.3 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.882 -1.136 . . . . 0.0 109.504 -179.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -60.14 -41.25 92.32 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 118.625 -1.23 . . . . 0.0 108.845 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.64 -41.52 97.62 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.062 -1.024 . . . . 0.0 108.583 178.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.537 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 70.4 t90 -60.13 -49.86 75.99 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.52 -0.738 . . . . 0.0 109.089 179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -61.52 -42.99 99.63 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.345 -0.847 . . . . 0.0 109.941 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -61.16 -42.26 98.24 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.173 -0.954 . . . . 0.0 110.472 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -60.34 -41.05 92.81 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.959 -1.088 . . . . 0.0 109.279 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.0 t -63.39 -40.26 88.36 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.489 0 O-C-N 121.537 -0.727 . . . . 0.0 109.457 179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -62.33 -40.85 97.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.141 -0.974 . . . . 0.0 110.649 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -69.62 -39.82 76.95 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.724 -1.235 . . . . 0.0 109.73 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . 0.531 HD23 HH11 ' A' ' 23' ' ' ARG . 96.2 mt -68.2 -40.48 82.16 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.078 -1.014 . . . . 0.0 108.736 179.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . 0.465 ' CD ' HH12 ' B' ' 29' ' ' ARG . 88.7 tt0 -60.69 -46.02 91.98 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.25 -0.906 . . . . 0.0 109.573 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.31 -40.02 96.19 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.936 -1.103 . . . . 0.0 109.397 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 27.8 m120 -64.49 -40.21 95.23 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.307 -0.87 . . . . 0.0 110.408 -179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.9 mt -66.05 -40.27 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.122 -0.986 . . . . 0.0 109.483 -179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 42.0 p -62.86 -42.87 99.92 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.935 -1.103 . . . . 0.0 109.688 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.74 -47.3 84.16 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.078 -1.014 . . . . 0.0 109.335 179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.51 -45.74 92.71 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.332 -0.855 . . . . 0.0 109.49 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 87.1 mt -61.97 -41.34 97.9 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.016 -1.052 . . . . 0.0 109.753 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -60.13 -46.16 90.58 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.199 -0.938 . . . . 0.0 108.924 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -62.87 -42.33 99.72 Favored 'General case' 0 C--N 1.305 -1.33 0 O-C-N 121.291 -0.881 . . . . 0.0 109.38 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . 0.419 ' N ' HE22 ' A' ' 16' ' ' GLN . . . -60.76 -43.07 98.47 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.264 -0.897 . . . . 0.0 109.859 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -60.29 -43.13 96.54 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.154 -0.966 . . . . 0.0 109.983 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.1 mt -67.69 -41.53 85.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 119.364 -0.934 . . . . 0.0 109.396 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -69.97 -40.32 75.44 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.125 -0.985 . . . . 0.0 109.436 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -59.83 -50.02 75.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.255 -0.903 . . . . 0.0 109.603 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.63 -42.89 99.53 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.341 -0.849 . . . . 0.0 109.163 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 28.5 mmtp -62.05 -40.49 95.92 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.305 -0.872 . . . . 0.0 110.189 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -65.24 -41.8 93.97 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.741 -1.225 . . . . 0.0 109.387 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 60.4 ttm -69.76 -40.1 76.31 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.366 -0.834 . . . . 0.0 108.817 179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.97 -45.87 91.28 Favored 'General case' 0 N--CA 1.486 1.371 0 O-C-N 121.236 -0.915 . . . . 0.0 108.745 179.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.66 -40.13 93.84 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.353 -0.842 . . . . 0.0 109.222 178.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.97 -40.7 89.95 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.454 -0.779 . . . . 0.0 109.039 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.515 ' O ' ' N ' ' B' ' 123' ' ' SER . 98.1 mt-30 -61.38 -40.3 93.83 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.199 -0.938 . . . . 0.0 110.068 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -60.12 -39.72 87.22 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.292 -0.88 . . . . 0.0 109.318 179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.5 -47.09 86.87 Favored 'General case' 0 C--N 1.301 -1.526 0 N-CA-C 108.012 -1.107 . . . . 0.0 108.012 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -130.08 62.12 1.57 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.514 -0.741 . . . . 0.0 109.716 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.515 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.135 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.521 ' NE2' HE22 ' A' ' 2' ' ' GLN . 96.3 mm-40 -68.9 145.06 53.99 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.133 -0.98 . . . . 0.0 108.411 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -88.99 61.92 6.09 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.146 -0.971 . . . . 0.0 109.223 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.408 ' HG3' HH11 ' C' ' 4' ' ' ARG . 42.0 mtm-85 -64.24 -40.14 95.4 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.229 -0.919 . . . . 0.0 108.96 179.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.444 HG23 ' N ' ' C' ' 6' ' ' LEU . 2.3 t -60.07 -45.03 94.25 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.271 -0.893 . . . . 0.0 109.543 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.444 ' N ' HG23 ' C' ' 5' ' ' THR . 59.9 tp -60.19 -41.83 93.75 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.116 -0.99 . . . . 0.0 108.423 179.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 20.8 mt -63.01 -40.08 96.71 Favored 'General case' 0 N--CA 1.491 1.616 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.233 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -45.5 92.53 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.409 -0.916 . . . . 0.0 108.544 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.29 -46.5 93.78 Favored Glycine 0 N--CA 1.488 2.133 0 N-CA-C 108.722 -1.751 . . . . 0.0 108.722 178.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.01 -48.75 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.203 -1.175 . . . . 0.0 109.696 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 66.1 t -60.07 -42.65 90.58 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.008 -1.057 . . . . 0.0 109.233 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -61.51 -39.64 91.73 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.225 -0.922 . . . . 0.0 109.506 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.85 -42.4 93.56 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.061 -1.025 . . . . 0.0 109.328 -179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -61.42 -40.08 93.12 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.125 -0.984 . . . . 0.0 109.262 179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -60.22 -46.15 90.75 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.0 109.351 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.455 HE22 ' N ' ' A' ' 107' ' ' ALA . 28.7 mt-30 -61.6 -43.39 98.94 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.151 -0.968 . . . . 0.0 109.589 -179.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 87.2 mt -60.66 -43.64 97.4 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.436 -0.79 . . . . 0.0 109.356 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.03 -43.23 95.44 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.093 -1.004 . . . . 0.0 109.362 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -60.0 -47.46 85.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.976 -1.077 . . . . 0.0 109.481 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 94.6 t -60.49 -40.18 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.244 -0.91 . . . . 0.0 109.98 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.24 -43.14 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.121 -0.987 . . . . 0.0 108.611 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -63.08 -40.24 97.06 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 121.43 -0.794 . . . . 0.0 109.144 179.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.541 HH11 HD23 ' A' ' 96' ' ' LEU . 30.4 mmt180 -60.67 -40.8 93.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.389 -0.82 . . . . 0.0 109.191 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.92 -40.0 91.53 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.153 -0.967 . . . . 0.0 109.391 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 71.4 tp60 -60.02 -49.51 77.39 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.171 -0.956 . . . . 0.0 109.585 -179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.68 -44.27 96.7 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.901 -1.124 . . . . 0.0 109.174 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 42.0 tp -60.19 -41.38 92.83 Favored 'General case' 0 N--CA 1.488 1.434 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 25.5 mt -61.02 -40.23 92.79 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.271 -0.893 . . . . 0.0 108.975 178.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . 0.465 HH12 ' CD ' ' C' ' 97' ' ' GLU . 50.8 mtt-85 -62.17 -41.68 98.55 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.175 -0.953 . . . . 0.0 109.331 179.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.534 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 93.6 mt -62.1 -41.54 98.31 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.067 -1.02 . . . . 0.0 109.641 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 62.9 p -62.64 -40.24 96.38 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.071 -1.018 . . . . 0.0 109.854 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 73.2 t -60.14 -41.72 87.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.248 -0.907 . . . . 0.0 109.546 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -59.81 -41.77 92.01 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.125 -0.984 . . . . 0.0 110.373 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.82 -50.54 66.54 Favored Glycine 0 N--CA 1.492 2.37 0 C-N-CA 119.41 -1.376 . . . . 0.0 110.281 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.2 -50.01 75.38 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.04 -1.27 . . . . 0.0 110.759 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -60.74 -40.09 91.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.991 -1.068 . . . . 0.0 109.989 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.499 HD21 HH21 ' C' ' 41' ' ' ARG . 44.0 t-20 -60.06 -40.29 88.96 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.05 -1.031 . . . . 0.0 109.428 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 92.6 mt -60.51 -40.18 90.46 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.884 -1.135 . . . . 0.0 110.017 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.45 -40.57 91.64 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.97 -1.081 . . . . 0.0 110.145 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 69.6 p -60.34 -42.03 94.83 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.011 -1.056 . . . . 0.0 108.617 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.523 ' NH2' ' CG ' ' A' ' 82' ' ' ASN . 41.5 mtt-85 -65.64 -40.02 92.08 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 179.23 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.01 -41.67 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 119.624 -0.83 . . . . 0.0 109.159 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 40.0 p -60.03 -40.38 89.15 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.807 -1.183 . . . . 0.0 109.794 179.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.58 -42.81 97.43 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.994 -1.066 . . . . 0.0 108.951 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -59.99 -39.86 81.45 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 O-C-N 121.365 -0.835 . . . . 0.0 109.273 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.45 -40.17 85.98 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.146 -0.971 . . . . 0.0 110.067 -178.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -64.01 -40.26 95.95 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.982 -1.074 . . . . 0.0 109.998 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.554 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 62.1 m-85 -67.75 -38.57 83.67 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.893 -1.13 . . . . 0.0 109.889 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 83.1 mt -59.87 -40.1 87.5 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.663 -1.273 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 55.9 mtpt -60.09 -39.83 87.45 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.934 -1.104 . . . . 0.0 108.685 178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -60.04 -39.87 87.41 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.24 -0.913 . . . . 0.0 109.078 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.457 ' NE2' ' O ' ' C' ' 48' ' ' TYR . 0.9 OUTLIER -59.84 -39.86 86.56 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.868 -1.145 . . . . 0.0 109.275 179.619 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . 0.412 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -59.28 -35.5 73.84 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 120.859 -1.151 . . . . 0.0 108.739 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -59.99 -39.65 86.47 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.228 -0.92 . . . . 0.0 108.837 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 70.0 mt -71.4 113.32 8.32 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.876 -1.14 . . . . 0.0 108.984 179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 35.1 m120 -134.53 -70.3 0.51 Allowed 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.408 -0.807 . . . . 0.0 109.803 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.17 101.64 3.16 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.41 -0.806 . . . . 0.0 109.187 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.449 ' C ' ' H ' ' C' ' 60' ' ' ALA . 72.1 m95 -116.74 150.72 37.77 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.571 -0.706 . . . . 0.0 110.255 -179.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.439 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 54.95 7.19 0.96 Allowed Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.847 -1.301 . . . . 0.0 109.847 179.094 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.457 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -76.23 24.01 0.14 Allowed 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.122 -1.222 . . . . 0.0 109.246 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.523 ' HB1' ' NE2' ' C' ' 64' ' ' GLN . . . -157.03 113.7 3.02 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.08 -1.013 . . . . 0.0 109.837 179.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -106.79 13.24 28.14 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 121.391 -0.818 . . . . 0.0 110.2 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.771 HH21 HH21 ' B' ' 63' ' ' ARG . 44.2 mtt-85 -121.87 23.39 10.09 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 177.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.53 HE21 ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -150.15 151.43 33.1 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 107.631 -1.248 . . . . 0.0 107.631 179.256 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 6.7 t -107.18 59.91 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.112 -0.992 . . . . 0.0 109.053 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.88 158.16 42.84 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.411 -0.805 . . . . 0.0 109.918 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -126.68 132.57 51.15 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.042 -1.095 . . . . 0.0 108.042 178.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.419 ' O ' HG23 ' C' ' 68' ' ' THR . 4.9 t -97.63 119.83 36.92 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.292 -0.88 . . . . 0.0 110.539 -178.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.569 ' O ' HG23 ' C' ' 69' ' ' THR . 15.3 t -115.74 120.98 41.1 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.41 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 94.6 t -124.62 86.53 55.48 Favored Pre-proline 0 N--CA 1.496 1.867 0 O-C-N 121.347 -0.846 . . . . 0.0 109.615 -179.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -84.11 66.08 7.0 Favored 'Trans proline' 0 C--N 1.312 -1.355 0 C-N-CA 122.732 2.288 . . . . 0.0 112.017 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.412 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 22.2 t90 -69.38 132.65 89.53 Favored Pre-proline 0 C--N 1.301 -1.533 0 N-CA-C 108.609 -0.886 . . . . 0.0 108.609 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.412 ' C ' ' O ' ' C' ' 72' ' ' TRP . 79.8 Cg_exo -40.2 148.39 0.18 Allowed 'Trans proline' 0 C--N 1.315 -1.205 0 C-N-CA 121.335 1.357 . . . . 0.0 111.0 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.531 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 8.8 t-20 -129.97 -53.07 1.13 Allowed 'General case' 0 N--CA 1.499 2.006 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.45 124.0 33.54 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.365 -1.346 . . . . 0.0 107.365 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.8 m -80.4 110.28 15.7 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.794 -1.191 . . . . 0.0 108.078 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 25.1 mt -79.96 136.86 36.72 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 121.748 0.785 . . . . 0.0 109.716 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.549 HG23 ' O ' ' C' ' 78' ' ' THR . 5.9 t -89.67 114.73 61.73 Favored Pre-proline 0 N--CA 1.491 1.607 0 O-C-N 121.664 -0.648 . . . . 0.0 109.366 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -90.73 -47.46 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.031 0 C-N-CA 121.697 1.598 . . . . 0.0 113.809 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -122.08 -44.28 2.29 Favored 'General case' 0 N--CA 1.506 2.356 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -177.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.599 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.5 p90 -59.84 -47.32 86.21 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.375 -1.453 . . . . 0.0 112.882 -175.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.599 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 65.0 t30 -74.59 -46.55 37.94 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 119.864 -1.773 . . . . 0.0 110.569 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -60.09 -50.02 75.34 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.02 -1.05 . . . . 0.0 110.677 -178.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -63.04 -42.95 99.86 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.702 -1.249 . . . . 0.0 109.412 -179.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.514 HG23 ' O ' ' C' ' 81' ' ' TRP . 71.1 p -70.1 -39.99 75.21 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.198 -0.939 . . . . 0.0 109.82 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 35.5 t-105 -68.82 -40.1 79.69 Favored 'General case' 0 N--CA 1.486 1.347 0 C-N-CA 118.952 -1.099 . . . . 0.0 109.354 -179.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.09 -41.81 93.27 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.644 -1.285 . . . . 0.0 108.751 179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.01 -41.78 97.19 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 120.956 -1.09 . . . . 0.0 108.474 178.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.492 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 71.1 t90 -60.04 -49.86 76.0 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.36 -42.74 99.19 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.342 -0.849 . . . . 0.0 109.921 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -61.65 -41.97 98.26 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.186 -0.946 . . . . 0.0 110.454 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -60.12 -42.02 93.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.94 -1.1 . . . . 0.0 109.171 179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -62.67 -40.43 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.398 -0.814 . . . . 0.0 109.395 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.17 -40.42 95.96 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.2 -0.937 . . . . 0.0 110.895 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -69.99 -39.93 75.62 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.975 -1.078 . . . . 0.0 109.723 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . 0.475 HD23 HH11 ' B' ' 23' ' ' ARG . 96.1 mt -68.51 -40.0 81.01 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.114 -0.991 . . . . 0.0 108.815 179.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . 0.465 ' CD ' HH12 ' C' ' 29' ' ' ARG . 88.6 tt0 -60.82 -46.01 92.21 Favored 'General case' 0 N--CA 1.485 1.278 0 O-C-N 121.138 -0.976 . . . . 0.0 109.617 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -63.35 -40.24 96.75 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.003 -1.061 . . . . 0.0 109.459 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -64.14 -40.43 96.14 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.377 -0.827 . . . . 0.0 110.333 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 90.9 mt -65.83 -40.44 87.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.577 0 O-C-N 121.079 -1.013 . . . . 0.0 109.523 -179.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 44.1 p -63.1 -42.02 99.49 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.015 -1.053 . . . . 0.0 109.703 179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.82 -46.59 84.39 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.09 -1.006 . . . . 0.0 109.187 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.41 -46.54 89.65 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.41 -0.806 . . . . 0.0 109.453 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.46 -41.5 97.33 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.042 -1.036 . . . . 0.0 109.806 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.0 -46.15 90.4 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.268 -0.895 . . . . 0.0 108.978 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -62.85 -42.27 99.68 Favored 'General case' 0 C--N 1.305 -1.331 0 O-C-N 121.246 -0.909 . . . . 0.0 109.429 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.6 98.5 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.332 -0.855 . . . . 0.0 110.008 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.79 -42.95 98.56 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.924 -1.11 . . . . 0.0 109.99 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -67.43 -41.85 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.132 -0.98 . . . . 0.0 109.448 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 28.6 mm100 -69.85 -40.12 75.98 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.206 -0.934 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -59.99 -49.9 75.86 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.194 -0.942 . . . . 0.0 109.352 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.8 -42.31 98.85 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.324 -0.86 . . . . 0.0 109.325 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -62.58 -40.26 96.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.281 -0.887 . . . . 0.0 110.126 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -65.53 -41.83 92.63 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.009 -1.057 . . . . 0.0 109.326 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 60.5 ttm -69.82 -39.97 76.18 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.355 -0.841 . . . . 0.0 108.791 179.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -59.86 -46.49 89.14 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.37 -0.831 . . . . 0.0 108.792 179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.24 -40.05 92.59 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.456 -0.778 . . . . 0.0 109.19 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.04 -40.66 90.12 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.398 -0.813 . . . . 0.0 109.071 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.494 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.8 mt-30 -61.36 -40.42 94.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.28 -0.887 . . . . 0.0 109.786 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -60.06 -39.3 85.53 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.09 -1.006 . . . . 0.0 109.307 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.62 -46.92 87.55 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -130.41 62.34 1.58 Allowed 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.388 -0.82 . . . . 0.0 109.494 179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.494 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 CA-C-O 118.113 -0.946 . . . . 0.0 108.906 179.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.586 HE22 HE22 ' B' ' 2' ' ' GLN . 97.3 mm-40 -69.96 145.17 52.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.259 -0.9 . . . . 0.0 109.116 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.4 t -88.23 61.64 6.33 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.14 -0.975 . . . . 0.0 109.147 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.489 ' HG2' HH11 ' A' ' 4' ' ' ARG . 30.2 mtt-85 -65.1 -39.91 93.82 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.553 HG23 ' N ' ' A' ' 6' ' ' LEU . 9.9 t -60.04 -44.38 94.7 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.331 -0.856 . . . . 0.0 109.545 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.553 ' N ' HG23 ' A' ' 5' ' ' THR . 59.6 tp -60.09 -45.3 93.39 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.94 -1.1 . . . . 0.0 108.66 179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.7 mt -59.98 -39.99 87.56 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.52 -0.738 . . . . 0.0 109.567 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -39.95 87.13 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.131 -0.98 . . . . 0.0 108.569 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.58 -46.02 64.22 Favored Glycine 0 N--CA 1.488 2.166 0 N-CA-C 108.502 -1.839 . . . . 0.0 108.502 178.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.99 -46.72 93.79 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.412 -1.051 . . . . 0.0 109.542 179.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.96 -46.61 93.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.007 -1.058 . . . . 0.0 109.266 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.76 -39.93 90.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.326 -0.858 . . . . 0.0 109.991 179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.06 -40.77 90.63 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.021 -1.05 . . . . 0.0 108.933 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -62.25 -41.34 98.35 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.049 -1.032 . . . . 0.0 109.261 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -61.42 -42.63 99.05 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.012 -1.055 . . . . 0.0 108.674 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -63.04 -40.83 98.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.312 -0.868 . . . . 0.0 109.495 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.43 -39.98 92.75 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.154 -0.967 . . . . 0.0 109.212 179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.9 tp -61.63 -42.98 99.65 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.349 -0.845 . . . . 0.0 109.294 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 51.1 t0 -60.02 -48.99 79.41 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.25 -0.907 . . . . 0.0 109.778 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.5 t -59.98 -40.25 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 121.161 -0.962 . . . . 0.0 109.707 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.06 -43.2 92.2 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.427 0 O-C-N 121.24 -0.913 . . . . 0.0 108.89 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -63.17 -40.45 97.58 Favored 'General case' 0 N--CA 1.486 1.347 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.475 ' HE ' HD11 ' B' ' 103' ' ' LEU . 53.9 mtt-85 -60.35 -40.05 89.34 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.3 -0.875 . . . . 0.0 109.536 179.625 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.09 -40.05 88.25 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.082 -1.011 . . . . 0.0 109.189 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -59.93 -46.11 90.44 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.068 -1.02 . . . . 0.0 109.428 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.28 -41.82 98.82 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.153 -0.967 . . . . 0.0 109.957 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.595 HD23 HD13 ' B' ' 28' ' ' LEU . 23.3 tp -61.12 -40.47 93.9 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.222 -0.924 . . . . 0.0 109.7 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.601 HD13 HD23 ' C' ' 27' ' ' LEU . 86.4 mt -60.18 -40.02 88.55 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.251 -0.906 . . . . 0.0 109.403 179.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.5 HH12 ' CD ' ' A' ' 97' ' ' GLU . 35.0 mtt-85 -60.0 -40.09 88.01 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.203 -0.936 . . . . 0.0 109.048 -179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.497 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 15.3 mt -64.9 -40.03 94.45 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.004 -1.06 . . . . 0.0 109.813 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.8 p -65.11 -40.0 93.9 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.933 -1.105 . . . . 0.0 109.739 -179.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -61.61 -40.0 85.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.246 -0.909 . . . . 0.0 109.005 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -60.05 -43.42 95.41 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.399 -0.813 . . . . 0.0 110.268 -179.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.3 -49.28 80.31 Favored Glycine 0 N--CA 1.49 2.26 0 C-N-CA 119.853 -1.165 . . . . 0.0 110.353 -179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.7 m -60.0 -50.03 75.36 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.111 -1.229 . . . . 0.0 110.133 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -60.01 -40.08 88.0 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.16 -0.962 . . . . 0.0 110.019 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.638 HD21 HH21 ' A' ' 41' ' ' ARG . 39.9 t30 -60.04 -40.61 89.96 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.086 -1.009 . . . . 0.0 109.701 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 90.5 mt -60.21 -39.95 88.41 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.16 -0.963 . . . . 0.0 109.736 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -60.0 -41.95 93.19 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.028 -1.045 . . . . 0.0 109.882 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.408 ' O ' ' OG1' ' A' ' 43' ' ' THR . 40.4 p -60.48 -41.31 93.96 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 120.717 -1.239 . . . . 0.0 108.642 179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.638 HH21 HD21 ' A' ' 37' ' ' ASN . 35.0 mtt-85 -64.32 -39.81 94.64 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 178.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.0 -42.59 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.391 -0.818 . . . . 0.0 109.293 179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 40' ' ' THR . 71.6 p -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.056 -1.027 . . . . 0.0 109.968 179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.86 92.81 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.105 -0.997 . . . . 0.0 108.966 -179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.64 -38.65 79.08 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 121.478 -0.764 . . . . 0.0 109.408 179.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.166 -0.959 . . . . 0.0 108.826 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -59.99 -44.13 94.72 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.519 -0.738 . . . . 0.0 109.623 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.542 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 68.0 m-85 -68.31 -38.36 81.52 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.174 -0.954 . . . . 0.0 109.752 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.2 mt -59.9 -40.09 87.61 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.041 -1.037 . . . . 0.0 108.869 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -59.95 -40.02 87.57 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.684 -1.26 . . . . 0.0 108.223 178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -60.0 -39.02 84.32 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.256 -0.903 . . . . 0.0 108.736 179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.622 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.77 -40.06 86.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.239 -0.913 . . . . 0.0 109.044 179.751 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.622 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -58.25 -35.58 71.94 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.002 -1.061 . . . . 0.0 108.938 179.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.96 -39.87 87.08 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.197 -0.939 . . . . 0.0 109.172 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 83.6 mt -73.74 113.09 10.48 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.004 -1.06 . . . . 0.0 109.124 179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 70' ' ' VAL . 26.5 m120 -133.41 -70.1 0.54 Allowed 'General case' 0 N--CA 1.499 2.025 0 O-C-N 121.367 -0.833 . . . . 0.0 109.05 179.442 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.89 88.02 1.51 Allowed 'General case' 0 N--CA 1.495 1.78 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.482 ' C ' ' H ' ' A' ' 60' ' ' ALA . 60.6 m95 -103.2 151.07 23.06 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.307 -0.87 . . . . 0.0 110.944 -178.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 51.49 9.42 0.43 Allowed Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 178.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.539 ' HB1' ' HA ' ' C' ' 60' ' ' ALA . . . -74.87 23.73 0.1 Allowed 'General case' 0 C--N 1.3 -1.554 0 O-C-N 121.296 -1.12 . . . . 0.0 108.877 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -155.57 109.85 2.88 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.158 -0.964 . . . . 0.0 110.217 179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -105.05 12.84 31.73 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 121.266 -0.896 . . . . 0.0 109.739 178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.497 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -117.64 21.89 12.7 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 107.273 -1.38 . . . . 0.0 107.273 177.695 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.497 ' NE2' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -151.02 152.57 33.68 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 107.528 -1.286 . . . . 0.0 107.528 179.358 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -107.1 60.13 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.983 0 O-C-N 121.043 -1.035 . . . . 0.0 109.222 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.1 157.88 43.32 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.216 -0.927 . . . . 0.0 109.436 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -124.88 133.0 53.24 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 108.628 -0.879 . . . . 0.0 108.628 179.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.419 ' O ' HG23 ' A' ' 68' ' ' THR . 5.2 t -97.54 120.08 37.25 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 121.33 -0.856 . . . . 0.0 110.759 -178.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.52 121.88 44.85 Favored 'General case' 0 N--CA 1.495 1.822 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.419 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 59.8 t -129.41 87.77 52.34 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.269 -0.894 . . . . 0.0 109.232 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_endo -84.67 67.3 6.43 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.788 2.325 . . . . 0.0 112.266 -179.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.417 ' O ' ' C ' ' A' ' 73' ' ' PRO . 32.6 t90 -69.03 130.16 91.64 Favored Pre-proline 0 N--CA 1.49 1.575 0 O-C-N 121.459 -0.776 . . . . 0.0 109.096 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.417 ' C ' ' O ' ' A' ' 72' ' ' TRP . 91.5 Cg_exo -39.2 148.33 0.12 Allowed 'Trans proline' 0 N--CA 1.487 1.138 0 C-N-CA 121.337 1.358 . . . . 0.0 111.473 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.581 HD22 ' NE2' ' A' ' 52' ' ' GLN . 19.5 t-20 -127.34 -52.63 1.39 Allowed 'General case' 0 N--CA 1.498 1.97 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.03 125.12 34.38 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.33 -0.989 . . . . 0.0 108.33 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.2 t -81.81 106.65 13.91 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 107.417 -1.327 . . . . 0.0 107.417 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 44.9 mt -80.71 135.8 36.07 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 121.682 0.753 . . . . 0.0 110.273 -178.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.467 HG23 ' O ' ' A' ' 78' ' ' THR . 3.7 t -92.58 113.94 60.95 Favored Pre-proline 0 N--CA 1.492 1.674 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -89.67 -47.67 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.195 0 C-N-CA 121.762 1.642 . . . . 0.0 114.337 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -121.58 -44.45 2.34 Favored 'General case' 0 N--CA 1.508 2.446 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -176.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.2 p90 -59.91 -48.84 80.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.343 -1.473 . . . . 0.0 112.25 -175.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.623 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.3 t30 -70.91 -43.76 67.61 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.194 -1.566 . . . . 0.0 110.558 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -60.01 -49.99 75.51 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.037 -1.039 . . . . 0.0 110.705 -178.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -60.91 -45.57 94.12 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.879 -1.138 . . . . 0.0 109.519 -179.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 81' ' ' TRP . 76.5 p -68.21 -40.0 82.26 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.301 -0.874 . . . . 0.0 109.892 -179.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.45 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 34.4 t-105 -68.38 -40.07 81.54 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.966 -1.084 . . . . 0.0 109.715 -179.362 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -59.98 -41.73 92.65 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.935 -1.103 . . . . 0.0 108.957 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -62.77 -42.25 99.6 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.038 -1.039 . . . . 0.0 108.397 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.482 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 60.7 t90 -59.93 -49.97 75.58 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.464 -0.772 . . . . 0.0 109.822 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -66.46 -40.59 89.46 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.334 -0.854 . . . . 0.0 109.572 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -66.64 -40.0 88.5 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.266 -0.896 . . . . 0.0 109.911 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -60.13 -43.85 95.38 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 120.971 -1.081 . . . . 0.0 108.963 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.11 -40.71 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.581 0 O-C-N 121.153 -0.967 . . . . 0.0 109.274 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -60.08 -40.14 88.52 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.356 -0.84 . . . . 0.0 110.723 -178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -69.36 -39.94 77.79 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.883 -1.135 . . . . 0.0 109.418 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 80.1 mt -65.91 -40.22 91.29 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.155 -0.966 . . . . 0.0 108.506 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.5 ' CD ' HH12 ' A' ' 29' ' ' ARG . 87.6 tt0 -60.04 -47.34 86.25 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.435 -0.791 . . . . 0.0 109.186 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.99 -40.0 96.45 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.269 -0.894 . . . . 0.0 109.707 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -65.98 -39.96 90.8 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.007 -1.058 . . . . 0.0 109.538 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 87.3 mt -65.66 -40.41 87.84 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.185 -0.947 . . . . 0.0 109.18 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 40.2 p -61.99 -40.01 94.15 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.172 -0.955 . . . . 0.0 109.652 179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.06 -49.49 77.43 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.224 -0.923 . . . . 0.0 109.829 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.464 HD11 ' HE ' ' C' ' 23' ' ' ARG . 88.2 mt -62.54 -41.15 98.69 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 120.911 -1.118 . . . . 0.0 109.252 -179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.54 -46.91 88.44 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.093 -1.004 . . . . 0.0 108.672 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.07 -47.76 84.53 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.241 -0.912 . . . . 0.0 109.108 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -60.33 -40.91 92.29 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.288 -0.883 . . . . 0.0 109.494 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.57 -42.46 99.56 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.343 -0.848 . . . . 0.0 109.711 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.94 -46.09 92.07 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.155 -0.965 . . . . 0.0 109.546 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -59.97 -48.22 88.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.259 -0.901 . . . . 0.0 109.19 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -68.02 -40.0 83.04 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.379 -0.826 . . . . 0.0 109.827 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -59.97 -49.93 75.74 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.123 -0.986 . . . . 0.0 109.675 -179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.21 -44.01 97.55 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.183 -0.948 . . . . 0.0 109.139 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.43 -43.25 99.28 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.351 -0.843 . . . . 0.0 109.809 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -63.59 -43.44 96.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.1 -1.0 . . . . 0.0 109.517 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.53 -40.03 80.9 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.129 -0.982 . . . . 0.0 108.657 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -60.01 -48.58 81.13 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.492 -0.755 . . . . 0.0 109.312 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.85 -39.9 95.81 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.127 -0.983 . . . . 0.0 109.496 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.0 -40.19 92.58 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.254 -0.904 . . . . 0.0 109.582 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.52 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.0 mt-30 -60.55 -41.84 95.36 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.071 -1.018 . . . . 0.0 110.055 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -60.46 -39.47 87.68 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.078 -1.014 . . . . 0.0 109.491 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.441 HD13 ' NH1' ' A' ' 4' ' ' ARG . 94.9 mt -59.36 -47.66 84.59 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -124.1 60.12 1.14 Allowed 'General case' 0 N--CA 1.496 1.827 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 178.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.496 1.837 0 CA-C-O 117.963 -1.017 . . . . 0.0 108.943 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.595 0 CA-C-O 121.197 0.522 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.617 HE22 HE22 ' C' ' 2' ' ' GLN . 97.0 mm-40 -69.91 145.12 52.19 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.268 -0.895 . . . . 0.0 109.127 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.7 t -88.11 61.54 6.34 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.084 -1.01 . . . . 0.0 109.167 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.487 HH11 ' HG2' ' B' ' 4' ' ' ARG . 30.1 mtt-85 -65.11 -39.78 93.59 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.554 HG23 ' N ' ' B' ' 6' ' ' LEU . 9.7 t -59.99 -44.44 94.51 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.39 -0.819 . . . . 0.0 109.538 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.554 ' N ' HG23 ' B' ' 5' ' ' THR . 59.8 tp -60.02 -45.45 92.75 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.009 -1.057 . . . . 0.0 108.611 179.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.7 mt -59.93 -39.81 86.77 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.546 -0.721 . . . . 0.0 109.63 179.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.03 87.73 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.118 -0.989 . . . . 0.0 108.597 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.37 -46.34 64.17 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 108.422 -1.871 . . . . 0.0 108.422 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -59.9 -46.67 93.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.337 -1.096 . . . . 0.0 109.611 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 63.5 t -60.0 -46.74 93.78 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 121.072 -1.017 . . . . 0.0 109.292 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.45 -40.06 89.78 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.271 -0.893 . . . . 0.0 109.87 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -60.05 -40.64 90.11 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.041 -1.037 . . . . 0.0 109.105 -179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 92.0 mt-30 -62.31 -41.35 98.46 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 120.899 -1.126 . . . . 0.0 109.274 179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -61.61 -42.32 98.71 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.167 -0.958 . . . . 0.0 108.603 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -63.4 -40.6 97.65 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.391 -0.818 . . . . 0.0 109.454 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 80.7 mt -65.58 -40.02 92.29 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.019 -1.051 . . . . 0.0 109.225 179.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 60.7 tp -61.48 -43.24 99.22 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.266 -0.896 . . . . 0.0 109.155 179.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -60.07 -48.93 79.65 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.316 -0.865 . . . . 0.0 109.772 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 77.5 t -59.95 -40.14 82.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 121.078 -1.014 . . . . 0.0 109.767 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.97 -43.11 91.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 121.21 -0.931 . . . . 0.0 108.854 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -63.42 -40.28 96.75 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.489 ' HE ' HD11 ' C' ' 103' ' ' LEU . 54.0 mtt-85 -60.46 -39.97 89.51 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.392 -0.818 . . . . 0.0 109.558 179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.1 -39.97 88.03 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.065 -1.022 . . . . 0.0 109.239 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -60.07 -45.71 91.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.048 -1.032 . . . . 0.0 109.386 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.03 -41.21 99.47 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.126 -0.984 . . . . 0.0 109.917 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.59 HD23 HD13 ' C' ' 28' ' ' LEU . 23.1 tp -61.45 -40.54 94.87 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.024 -1.047 . . . . 0.0 109.617 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.595 HD13 HD23 ' A' ' 27' ' ' LEU . 87.0 mt -59.96 -40.1 87.9 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.164 -0.96 . . . . 0.0 109.474 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.5 HH12 ' CD ' ' B' ' 97' ' ' GLU . 35.2 mtt-85 -59.95 -40.04 87.63 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.154 -0.967 . . . . 0.0 109.04 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.521 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 15.2 mt -65.05 -40.11 94.3 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.009 -1.057 . . . . 0.0 109.848 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 78.7 p -65.06 -39.91 93.95 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.913 -1.117 . . . . 0.0 109.654 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.74 -39.89 84.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.168 -0.958 . . . . 0.0 109.012 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -60.04 -43.61 95.24 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.351 -0.843 . . . . 0.0 110.301 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.1 -49.46 78.29 Favored Glycine 0 N--CA 1.49 2.252 0 C-N-CA 119.78 -1.2 . . . . 0.0 110.339 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -59.93 -50.04 75.34 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.036 -1.273 . . . . 0.0 110.102 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -59.99 -40.02 87.76 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.206 -0.934 . . . . 0.0 109.982 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.646 HD21 HH21 ' B' ' 41' ' ' ARG . 39.8 t30 -60.23 -40.47 90.34 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.192 -0.943 . . . . 0.0 109.687 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.3 mt -60.21 -40.07 88.82 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.061 -1.024 . . . . 0.0 109.712 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -59.92 -41.9 92.77 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.042 -1.037 . . . . 0.0 110.039 -179.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 43.1 p -60.48 -41.28 93.89 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.731 -1.231 . . . . 0.0 108.546 179.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.646 HH21 HD21 ' B' ' 37' ' ' ASN . 35.0 mtt-85 -64.16 -40.04 95.28 Favored 'General case' 0 N--CA 1.488 1.446 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 55.1 t -59.96 -42.71 90.4 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.54 -0.725 . . . . 0.0 109.186 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 70.8 p -60.0 -40.02 87.79 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.99 -1.069 . . . . 0.0 110.079 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.94 -41.9 92.86 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.08 -1.013 . . . . 0.0 108.889 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 91.8 mt -60.51 -38.81 79.29 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.52 -0.737 . . . . 0.0 109.467 179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.145 -0.972 . . . . 0.0 108.758 -179.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 60.1 tttp -60.06 -44.1 94.94 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.531 -0.73 . . . . 0.0 109.574 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 67.6 m-85 -68.21 -38.36 81.87 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.219 -0.925 . . . . 0.0 109.811 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 64.2 mt -59.89 -40.11 87.63 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.092 -1.005 . . . . 0.0 108.818 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -60.05 -39.97 87.8 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.651 -1.281 . . . . 0.0 108.176 178.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 58.2 t0 -59.95 -39.08 84.32 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.244 -0.91 . . . . 0.0 108.727 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.623 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -59.85 -39.99 87.03 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.233 -0.917 . . . . 0.0 109.068 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.623 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -58.24 -35.53 71.86 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.899 -1.125 . . . . 0.0 108.901 179.555 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -59.93 -39.89 87.02 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.193 -0.942 . . . . 0.0 109.174 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 84.0 mt -73.76 113.08 10.5 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.944 -1.097 . . . . 0.0 109.087 179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' B' ' 70' ' ' VAL . 26.4 m120 -133.53 -70.12 0.53 Allowed 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.374 -0.829 . . . . 0.0 109.014 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.62 88.06 1.54 Allowed 'General case' 0 N--CA 1.494 1.729 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.47 ' C ' ' H ' ' B' ' 60' ' ' ALA . 60.5 m95 -103.25 151.3 22.82 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.465 -0.772 . . . . 0.0 111.055 -178.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 51.14 9.94 0.41 Allowed Glycine 0 N--CA 1.492 2.368 0 N-CA-C 109.812 -1.315 . . . . 0.0 109.812 178.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.544 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -75.39 23.48 0.11 Allowed 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.246 -1.15 . . . . 0.0 108.85 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -155.13 109.63 2.95 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.196 -0.94 . . . . 0.0 110.219 179.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 -104.81 12.69 32.36 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.283 -0.886 . . . . 0.0 109.776 178.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.499 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -117.51 21.95 12.71 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 177.727 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.499 ' NE2' ' C ' ' B' ' 63' ' ' ARG . 0.0 OUTLIER -151.13 152.5 33.46 Favored 'General case' 0 C--N 1.302 -1.459 0 N-CA-C 107.656 -1.238 . . . . 0.0 107.656 179.331 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 t -107.1 60.12 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.005 0 O-C-N 120.997 -1.064 . . . . 0.0 109.137 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.85 158.03 43.65 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.239 -0.913 . . . . 0.0 109.424 179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 16.4 m170 -125.14 132.85 53.01 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.43 HG23 ' O ' ' B' ' 68' ' ' THR . 5.1 t -97.58 119.97 37.12 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.307 -0.871 . . . . 0.0 110.736 -177.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.39 121.91 45.03 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 108.873 -0.788 . . . . 0.0 108.873 179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.42 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 61.3 t -129.36 87.91 52.12 Favored Pre-proline 0 N--CA 1.499 2.009 0 O-C-N 121.257 -0.902 . . . . 0.0 109.192 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -84.8 67.27 6.33 Favored 'Trans proline' 0 N--CA 1.488 1.199 0 C-N-CA 122.841 2.36 . . . . 0.0 112.267 -179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.406 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 32.4 t90 -69.06 130.2 91.57 Favored Pre-proline 0 N--CA 1.491 1.581 0 O-C-N 121.416 -0.802 . . . . 0.0 109.092 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.406 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 92.4 Cg_exo -39.21 148.3 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.155 0 C-N-CA 121.32 1.347 . . . . 0.0 111.541 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.599 HD22 ' NE2' ' B' ' 52' ' ' GLN . 19.9 t-20 -127.27 -52.52 1.39 Allowed 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.11 125.27 34.49 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 29.1 t -81.89 106.55 13.9 Favored 'General case' 0 C--N 1.302 -1.471 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 44.6 mt -80.69 135.91 36.09 Favored 'General case' 0 C--N 1.3 -1.562 0 CA-C-O 121.694 0.759 . . . . 0.0 110.13 -178.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.46 ' O ' HG23 ' B' ' 78' ' ' THR . 3.4 t -92.83 113.85 60.88 Favored Pre-proline 0 N--CA 1.494 1.736 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -89.64 -47.63 0.03 OUTLIER 'Trans proline' 0 N--CA 1.487 1.127 0 C-N-CA 121.788 1.659 . . . . 0.0 114.28 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 tptm -121.55 -44.56 2.34 Favored 'General case' 0 N--CA 1.507 2.419 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -176.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.618 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.3 p90 -59.99 -48.66 80.79 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.375 -1.453 . . . . 0.0 112.233 -175.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.618 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.2 t30 -71.13 -43.72 67.03 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.239 -1.538 . . . . 0.0 110.486 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 18.1 t-20 -60.01 -50.08 75.13 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.041 -1.037 . . . . 0.0 110.637 -178.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.58 -45.51 93.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.861 -1.149 . . . . 0.0 109.656 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.45 HG23 ' O ' ' B' ' 81' ' ' TRP . 75.0 p -68.49 -40.0 81.07 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.261 -0.899 . . . . 0.0 109.847 -179.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . 0.453 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 34.2 t-105 -68.33 -40.06 81.75 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 118.994 -1.083 . . . . 0.0 109.734 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -59.96 -41.79 92.7 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 120.911 -1.118 . . . . 0.0 108.969 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -62.62 -42.05 99.36 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.077 -1.014 . . . . 0.0 108.582 178.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.497 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 60.7 t90 -60.09 -49.95 75.63 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.49 -0.756 . . . . 0.0 109.717 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -66.07 -41.21 91.04 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.161 -0.962 . . . . 0.0 109.543 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.1 -39.97 90.39 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.292 -0.88 . . . . 0.0 110.106 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -60.53 -43.65 96.91 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.115 -0.991 . . . . 0.0 108.862 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.2 -40.56 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.215 -0.928 . . . . 0.0 109.378 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -60.16 -40.0 88.36 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.382 -0.824 . . . . 0.0 110.805 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -69.48 -40.01 77.34 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.875 -1.14 . . . . 0.0 109.368 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 80.8 mt -65.84 -40.27 91.58 Favored 'General case' 0 C--N 1.305 -1.36 0 O-C-N 121.078 -1.013 . . . . 0.0 108.541 179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . 0.5 ' CD ' HH12 ' B' ' 29' ' ' ARG . 88.1 tt0 -59.98 -47.18 86.89 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.458 -0.776 . . . . 0.0 109.186 179.45 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.25 -40.01 96.22 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.279 -0.888 . . . . 0.0 109.696 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -65.75 -40.0 91.66 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.011 -1.056 . . . . 0.0 109.401 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.1 mt -65.69 -40.79 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 O-C-N 121.27 -0.894 . . . . 0.0 109.186 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 40.9 p -61.67 -40.02 93.46 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.035 -1.04 . . . . 0.0 109.753 179.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.96 -49.77 76.36 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.124 -0.985 . . . . 0.0 109.877 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.475 HD11 ' HE ' ' A' ' 23' ' ' ARG . 87.4 mt -62.04 -41.59 98.29 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.968 -1.083 . . . . 0.0 109.3 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.17 -47.01 87.75 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.055 -1.028 . . . . 0.0 108.695 179.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.04 -47.95 83.72 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.206 -0.934 . . . . 0.0 109.038 179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.09 -41.22 92.02 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.285 -0.884 . . . . 0.0 109.517 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.4 -42.24 99.28 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.343 -0.848 . . . . 0.0 109.839 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.25 -45.83 92.91 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.19 -0.944 . . . . 0.0 109.54 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.99 -48.52 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.901 . . . . 0.0 109.172 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.78 -39.94 84.01 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.397 -0.814 . . . . 0.0 109.816 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.11 -50.01 75.39 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.132 -0.98 . . . . 0.0 109.647 -179.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -62.12 -43.88 97.86 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.142 -0.974 . . . . 0.0 109.104 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.63 -42.7 99.74 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.369 -0.832 . . . . 0.0 109.879 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -64.28 -42.85 96.22 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.033 -1.042 . . . . 0.0 109.544 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 27.9 ttt -68.83 -40.06 79.66 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.209 -0.932 . . . . 0.0 108.572 179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -59.99 -48.57 81.16 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.447 -0.783 . . . . 0.0 109.387 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.82 -40.04 96.17 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.099 -1.001 . . . . 0.0 109.384 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.7 -40.57 92.71 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.344 -0.848 . . . . 0.0 109.704 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.3 mt-30 -60.38 -42.02 94.97 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.106 -0.996 . . . . 0.0 110.002 179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 47.3 mtpt -60.14 -39.42 86.23 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.172 -0.955 . . . . 0.0 109.667 179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . 0.425 HD13 ' NH1' ' B' ' 4' ' ' ARG . 94.8 mt -59.54 -47.89 83.79 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -124.02 60.03 1.13 Allowed 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.769 0 O-C-N 121.025 -1.047 . . . . 0.0 108.919 179.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 121.213 0.53 . . . . 0.0 109.695 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.617 HE22 HE22 ' B' ' 2' ' ' GLN . 96.3 mm-40 -70.03 145.22 51.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.194 -0.941 . . . . 0.0 109.071 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -88.32 61.58 6.26 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.134 -0.979 . . . . 0.0 109.194 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.489 HH11 ' HG2' ' C' ' 4' ' ' ARG . 29.8 mtt-85 -65.12 -39.9 93.73 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.508 -0.745 . . . . 0.0 109.033 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.563 HG23 ' N ' ' C' ' 6' ' ' LEU . 9.8 t -60.04 -44.46 94.64 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.46 -0.775 . . . . 0.0 109.561 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.563 ' N ' HG23 ' C' ' 5' ' ' THR . 60.1 tp -59.91 -45.34 92.88 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.032 -1.043 . . . . 0.0 108.649 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.0 mt -59.9 -40.04 87.44 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.514 -0.742 . . . . 0.0 109.678 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.83 -40.04 87.14 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.152 -0.968 . . . . 0.0 108.594 -179.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.49 -46.12 64.44 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 108.469 -1.852 . . . . 0.0 108.469 178.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.04 -46.73 93.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.387 -1.066 . . . . 0.0 109.606 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 64.3 t -59.99 -46.8 93.68 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 121.072 -1.017 . . . . 0.0 109.192 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -60.59 -39.97 90.03 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.157 -0.964 . . . . 0.0 109.99 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -59.99 -40.64 89.89 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.034 -1.041 . . . . 0.0 109.108 -179.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -62.42 -40.8 97.73 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.066 -1.021 . . . . 0.0 109.325 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -61.78 -42.75 99.39 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.081 -1.012 . . . . 0.0 108.675 179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -62.75 -41.36 99.16 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.286 -0.884 . . . . 0.0 109.568 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.95 -40.04 94.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.126 -0.984 . . . . 0.0 109.276 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.0 tp -61.67 -42.97 99.64 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.376 -0.828 . . . . 0.0 109.246 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -59.94 -49.1 79.01 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.291 -0.88 . . . . 0.0 109.88 -179.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.05 -40.02 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.043 -1.036 . . . . 0.0 109.667 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.01 -43.2 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.152 -0.967 . . . . 0.0 108.926 179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -63.33 -40.48 97.41 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.464 ' HE ' HD11 ' A' ' 103' ' ' LEU . 54.5 mtt-85 -60.36 -40.08 89.49 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.387 -0.821 . . . . 0.0 109.592 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.0 -40.08 87.99 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.174 -0.954 . . . . 0.0 109.231 179.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -59.94 -45.88 91.2 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.009 -1.057 . . . . 0.0 109.455 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.71 -41.42 99.13 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.197 -0.939 . . . . 0.0 109.872 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.601 HD23 HD13 ' A' ' 28' ' ' LEU . 23.5 tp -61.27 -40.65 94.9 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.205 -0.935 . . . . 0.0 109.668 179.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.59 HD13 HD23 ' B' ' 27' ' ' LEU . 86.7 mt -60.07 -39.89 87.62 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.306 -0.871 . . . . 0.0 109.543 179.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . 0.508 HH12 ' CD ' ' C' ' 97' ' ' GLU . 34.4 mtt-85 -60.05 -40.01 87.95 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.223 -0.923 . . . . 0.0 108.986 -179.638 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.482 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 15.3 mt -65.22 -39.99 93.5 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.045 -1.034 . . . . 0.0 109.767 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 73.3 p -64.94 -40.04 94.43 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.958 -1.089 . . . . 0.0 109.691 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.7 t -61.73 -40.01 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 121.232 -0.918 . . . . 0.0 109.084 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -59.96 -43.43 95.05 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.472 -0.767 . . . . 0.0 110.3 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.33 -49.47 78.21 Favored Glycine 0 N--CA 1.489 2.193 0 C-N-CA 119.84 -1.171 . . . . 0.0 110.301 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -59.96 -50.07 75.18 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.065 -1.256 . . . . 0.0 109.952 -179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 10.2 mtpm? -59.92 -39.98 87.31 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.198 -0.939 . . . . 0.0 110.07 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.663 HD21 HH21 ' C' ' 41' ' ' ARG . 39.8 t30 -60.1 -40.72 90.63 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.151 -0.968 . . . . 0.0 109.686 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.1 mt -60.12 -40.06 88.42 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.154 -0.966 . . . . 0.0 109.702 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -60.01 -41.57 92.45 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.074 -1.016 . . . . 0.0 109.921 -178.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . 0.419 ' O ' ' OG1' ' C' ' 43' ' ' THR . 43.1 p -60.73 -41.3 95.05 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.736 -1.228 . . . . 0.0 108.503 179.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.663 HH21 HD21 ' C' ' 37' ' ' ASN . 35.0 mtt-85 -64.2 -39.98 95.11 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.05 -42.51 90.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.384 0 O-C-N 121.473 -0.767 . . . . 0.0 109.227 179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' C' ' 40' ' ' THR . 69.2 p -60.03 -40.04 87.96 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.102 -0.999 . . . . 0.0 110.093 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.02 -41.77 92.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.112 -0.993 . . . . 0.0 108.916 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 91.3 mt -60.65 -38.66 79.16 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.568 0 O-C-N 121.486 -0.759 . . . . 0.0 109.428 179.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.88 -40.12 87.6 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.192 -0.942 . . . . 0.0 108.896 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -60.06 -43.85 95.13 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.451 -0.78 . . . . 0.0 109.645 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.555 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 68.4 m-85 -68.67 -38.17 80.19 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.166 -0.959 . . . . 0.0 109.791 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 61.4 mt -59.89 -40.05 87.41 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.006 -1.059 . . . . 0.0 108.846 179.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -59.94 -40.04 87.61 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.738 -1.226 . . . . 0.0 108.226 178.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -60.0 -39.13 84.69 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.138 -0.976 . . . . 0.0 108.665 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.627 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.83 -40.03 87.1 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.182 -0.949 . . . . 0.0 109.081 179.836 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . 0.627 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -58.17 -35.52 71.69 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.945 -1.097 . . . . 0.0 108.955 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -59.91 -40.02 87.38 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.161 -0.962 . . . . 0.0 109.109 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 83.8 mt -73.73 113.14 10.53 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.97 -1.081 . . . . 0.0 109.086 179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.432 ' OD1' ' O ' ' C' ' 70' ' ' VAL . 27.0 m120 -133.55 -69.98 0.54 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.323 -0.86 . . . . 0.0 109.132 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.26 88.25 1.5 Allowed 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.46 ' C ' ' H ' ' C' ' 60' ' ' ALA . 60.8 m95 -103.36 151.27 22.94 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.426 -0.796 . . . . 0.0 110.952 -179.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.486 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 51.56 9.43 0.45 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.892 -1.283 . . . . 0.0 109.892 178.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.544 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -75.11 24.17 0.1 Allowed 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.331 -1.099 . . . . 0.0 108.956 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.486 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.06 109.64 2.73 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.256 -0.903 . . . . 0.0 110.248 179.502 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -104.86 12.64 32.33 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.285 -0.885 . . . . 0.0 109.757 178.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.499 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -117.49 22.06 12.64 Favored 'General case' 0 N--CA 1.5 2.039 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 177.716 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.499 ' NE2' ' C ' ' C' ' 63' ' ' ARG . 0.0 OUTLIER -151.25 152.53 33.37 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 107.532 -1.285 . . . . 0.0 107.532 179.464 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.8 t -107.18 60.25 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.998 0 O-C-N 121.112 -0.993 . . . . 0.0 109.176 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.97 157.8 43.35 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.356 -0.84 . . . . 0.0 109.375 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -124.97 132.9 53.2 Favored 'General case' 0 N--CA 1.502 2.138 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.428 ' O ' HG23 ' C' ' 68' ' ' THR . 5.1 t -97.59 120.23 37.59 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.339 -0.851 . . . . 0.0 110.756 -178.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.46 121.82 44.7 Favored 'General case' 0 N--CA 1.495 1.816 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.432 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 60.0 t -129.21 87.62 53.39 Favored Pre-proline 0 N--CA 1.499 2.01 0 O-C-N 121.371 -0.831 . . . . 0.0 109.127 -179.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 90.6 Cg_endo -84.63 67.38 6.45 Favored 'Trans proline' 0 N--CA 1.489 1.233 0 C-N-CA 122.739 2.293 . . . . 0.0 112.329 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.414 ' O ' ' C ' ' C' ' 73' ' ' PRO . 31.8 t90 -69.02 130.31 91.54 Favored Pre-proline 0 N--CA 1.49 1.555 0 O-C-N 121.502 -0.749 . . . . 0.0 109.132 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.414 ' C ' ' O ' ' C' ' 72' ' ' TRP . 91.1 Cg_exo -39.35 148.28 0.13 Allowed 'Trans proline' 0 N--CA 1.488 1.173 0 C-N-CA 121.374 1.382 . . . . 0.0 111.399 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.583 HD22 ' NE2' ' C' ' 52' ' ' GLN . 19.9 t-20 -127.31 -52.44 1.39 Allowed 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.09 125.22 34.47 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 30.6 t -81.81 106.5 13.79 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 107.456 -1.312 . . . . 0.0 107.456 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 45.7 mt -80.66 135.87 36.1 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.6 0.714 . . . . 0.0 110.226 -178.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.444 HG23 ' O ' ' C' ' 78' ' ' THR . 3.5 t -92.9 113.64 60.34 Favored Pre-proline 0 N--CA 1.494 1.75 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -89.48 -47.67 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.169 0 C-N-CA 121.836 1.691 . . . . 0.0 114.251 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -121.65 -44.3 2.34 Favored 'General case' 0 N--CA 1.508 2.432 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.62 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.3 p90 -60.07 -48.9 79.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.302 -1.499 . . . . 0.0 112.156 -175.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.62 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.3 t30 -70.87 -43.82 67.63 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.194 -1.566 . . . . 0.0 110.578 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -60.07 -49.94 75.69 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.025 -1.047 . . . . 0.0 110.688 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.6 -45.6 93.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.786 -1.196 . . . . 0.0 109.58 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.457 HG23 ' O ' ' C' ' 81' ' ' TRP . 79.9 p -68.56 -39.91 80.86 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.284 -0.885 . . . . 0.0 109.801 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . 0.434 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 34.3 t-105 -68.36 -40.05 81.62 Favored 'General case' 0 N--CA 1.486 1.347 0 O-C-N 120.965 -1.084 . . . . 0.0 109.696 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -59.92 -41.9 92.74 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.891 -1.131 . . . . 0.0 109.012 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.53 -42.33 99.45 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 119.257 -0.977 . . . . 0.0 108.391 179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.521 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.0 t90 -60.11 -49.97 75.54 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.501 -0.749 . . . . 0.0 109.825 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -65.93 -40.93 91.82 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.221 -0.924 . . . . 0.0 109.481 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -66.42 -40.13 89.35 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.238 -0.913 . . . . 0.0 110.03 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 45.3 tttm -60.14 -43.8 95.44 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.045 -1.034 . . . . 0.0 109.001 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.2 t -61.07 -40.55 86.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.22 -0.925 . . . . 0.0 109.395 179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -60.0 -40.42 89.14 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.414 -0.804 . . . . 0.0 110.803 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -69.31 -39.88 78.01 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.933 -1.104 . . . . 0.0 109.417 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 83.5 mt -65.95 -40.26 91.19 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.135 -0.978 . . . . 0.0 108.468 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . 0.508 ' CD ' HH12 ' C' ' 29' ' ' ARG . 87.7 tt0 -59.95 -47.76 84.5 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.431 -0.793 . . . . 0.0 109.103 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.6 -40.0 95.55 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.313 -0.867 . . . . 0.0 109.782 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -65.85 -40.16 91.45 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.089 -1.007 . . . . 0.0 109.429 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.63 -40.36 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 O-C-N 121.156 -0.965 . . . . 0.0 109.184 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 40.9 p -62.09 -39.99 94.34 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.131 -0.981 . . . . 0.0 109.698 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.76 76.38 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.118 -0.989 . . . . 0.0 109.883 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . 0.489 HD11 ' HE ' ' B' ' 23' ' ' ARG . 87.3 mt -62.11 -41.56 98.34 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.949 -1.094 . . . . 0.0 109.184 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 90.0 mt -60.11 -47.0 87.71 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.152 -0.967 . . . . 0.0 108.799 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.08 -47.59 85.24 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.304 -0.872 . . . . 0.0 109.167 179.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -60.53 -40.92 93.23 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.377 -0.827 . . . . 0.0 109.433 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.0 99.44 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.272 -0.892 . . . . 0.0 109.758 -179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.28 -45.78 93.07 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.133 -0.98 . . . . 0.0 109.629 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.91 -48.49 87.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.227 -0.921 . . . . 0.0 109.149 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -67.96 -40.01 83.28 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.41 -0.806 . . . . 0.0 109.725 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 67.7 tp60 -59.99 -50.02 75.39 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.054 -1.029 . . . . 0.0 109.683 -179.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.94 -44.46 96.72 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.242 -0.911 . . . . 0.0 109.098 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -62.09 -43.2 99.35 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.268 -0.895 . . . . 0.0 109.779 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -63.71 -43.32 96.91 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.015 -1.053 . . . . 0.0 109.581 -179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.45 -40.03 81.24 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.221 -0.924 . . . . 0.0 108.573 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -59.98 -48.68 80.7 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.432 -0.792 . . . . 0.0 109.363 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.95 -39.97 96.25 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.164 -0.96 . . . . 0.0 109.349 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.78 -40.49 92.79 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.236 -0.915 . . . . 0.0 109.558 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.2 mt-30 -60.07 -42.65 95.01 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.072 -1.018 . . . . 0.0 109.966 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 47.2 mtpt -59.93 -38.79 83.4 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.15 -0.969 . . . . 0.0 109.821 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . 0.433 HD13 ' NH1' ' C' ' 4' ' ' ARG . 95.1 mt -59.89 -47.64 84.95 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 107.611 -1.255 . . . . 0.0 107.611 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -124.11 59.75 1.15 Allowed 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 178.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.517 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.5 OUTLIER . . . . . 0 N--CA 1.495 1.804 0 CA-C-O 117.99 -1.005 . . . . 0.0 108.968 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -77.73 146.06 36.16 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.229 -0.919 . . . . 0.0 109.389 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 p -88.67 61.97 6.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.256 -0.902 . . . . 0.0 109.074 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -63.93 -39.98 95.4 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.372 -0.83 . . . . 0.0 109.336 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.432 ' H ' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -60.83 -41.73 96.35 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.199 -0.938 . . . . 0.0 108.997 179.66 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 63.6 tp -61.8 -42.42 98.98 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.106 -0.996 . . . . 0.0 108.765 179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.4 mt -60.06 -39.93 87.72 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.518 -0.739 . . . . 0.0 110.073 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.05 -40.0 87.91 Favored 'General case' 0 C--N 1.304 -1.411 0 O-C-N 121.032 -1.042 . . . . 0.0 108.701 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.71 -46.43 54.01 Favored Glycine 0 N--CA 1.489 2.208 0 N-CA-C 109.007 -1.637 . . . . 0.0 109.007 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 91.5 mt -59.91 -46.18 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.408 -1.054 . . . . 0.0 109.79 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.3 t -60.03 -44.48 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.061 -1.024 . . . . 0.0 108.774 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.91 -40.05 94.11 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.258 -0.901 . . . . 0.0 109.744 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.2 tp-100 -59.96 -42.16 93.47 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.107 -0.996 . . . . 0.0 109.305 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 -60.13 -42.21 94.31 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.043 -1.036 . . . . 0.0 108.731 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.58 -43.57 98.62 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.311 -0.868 . . . . 0.0 109.031 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -60.13 -44.58 94.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 109.147 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.42 -42.11 98.22 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.35 -0.844 . . . . 0.0 109.484 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.445 HD11 HD23 ' A' ' 104' ' ' LEU . 63.6 tp -60.27 -42.38 95.27 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.359 -0.838 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.97 -47.85 84.12 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.225 -0.922 . . . . 0.0 110.111 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.3 -40.77 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.04 -1.037 . . . . 0.0 109.56 -179.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.04 -41.66 87.09 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.41 -0.806 . . . . 0.0 109.005 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -62.26 -41.15 98.2 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.505 -0.747 . . . . 0.0 109.209 179.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HE ' HD11 ' B' ' 103' ' ' LEU . 52.8 mtt-85 -61.66 -40.08 93.65 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.427 -0.796 . . . . 0.0 109.856 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.94 -40.07 87.7 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.99 -1.069 . . . . 0.0 109.538 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 -59.98 -49.95 75.67 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.178 -0.951 . . . . 0.0 108.996 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -60.91 -42.24 97.68 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.128 -0.982 . . . . 0.0 109.37 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.0 tp -60.63 -40.99 93.95 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.344 -0.847 . . . . 0.0 109.013 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.54 -40.05 90.13 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.348 -0.845 . . . . 0.0 109.474 179.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -59.99 -40.46 89.28 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.181 -0.95 . . . . 0.0 109.388 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.484 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 95.9 mt -61.57 -41.9 98.07 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.073 -1.017 . . . . 0.0 109.514 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -63.37 -40.6 97.68 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.121 -0.987 . . . . 0.0 109.828 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.29 -40.1 84.92 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.464 0 O-C-N 121.357 -0.84 . . . . 0.0 109.249 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 82.4 t90 -59.97 -43.72 94.93 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.289 -0.882 . . . . 0.0 110.451 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.07 -50.0 72.45 Favored Glycine 0 N--CA 1.489 2.202 0 N-CA-C 109.884 -1.287 . . . . 0.0 109.884 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 93.7 m -59.97 -49.94 75.7 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.101 -1.235 . . . . 0.0 109.93 -179.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 53.2 mtpt -61.68 -39.96 93.29 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.135 -0.978 . . . . 0.0 109.708 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.666 ' ND2' HH21 ' A' ' 41' ' ' ARG . 51.0 t-20 -60.12 -40.31 89.25 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.318 -0.864 . . . . 0.0 109.634 -179.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.9 mt -60.66 -40.04 90.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.167 -0.958 . . . . 0.0 109.492 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -59.94 -40.62 89.58 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.1 -1.0 . . . . 0.0 109.641 -178.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 80.8 p -60.07 -40.29 89.02 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.887 -1.133 . . . . 0.0 108.482 179.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.719 HH22 HD21 ' B' ' 82' ' ' ASN . 71.9 mtt180 -66.53 -39.97 88.88 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.1 -40.09 82.34 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.4 0 O-C-N 121.449 -0.782 . . . . 0.0 109.162 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 72.2 p -60.02 -39.98 87.73 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 120.842 -1.161 . . . . 0.0 108.635 179.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.93 -43.5 94.92 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.208 -0.932 . . . . 0.0 108.9 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 86.1 mt -59.97 -39.71 80.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.447 -0.783 . . . . 0.0 109.127 179.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.01 -40.13 88.19 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.2 -0.937 . . . . 0.0 110.04 -178.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -62.4 -42.15 99.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.901 -1.124 . . . . 0.0 109.033 179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 54.8 m-85 -65.5 -39.57 92.01 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.361 -0.837 . . . . 0.0 109.777 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.8 mt -59.96 -39.58 86.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.1 -1.0 . . . . 0.0 108.816 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.03 -40.0 87.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 108.181 -1.044 . . . . 0.0 108.181 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 51' ' ' ASP . 41.2 t0 -59.96 -40.13 88.0 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.356 -0.84 . . . . 0.0 109.096 179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.53 ' NE2' HD21 ' B' ' 74' ' ' ASN . 0.8 OUTLIER -59.99 -39.96 87.53 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.805 -1.184 . . . . 0.0 109.162 -179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.3 -35.78 74.41 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.011 -1.056 . . . . 0.0 108.712 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -59.99 -40.02 87.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.374 -0.829 . . . . 0.0 108.875 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.2 mt -71.49 113.85 8.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.07 -1.018 . . . . 0.0 109.082 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -134.29 -71.22 0.5 Allowed 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.595 -0.691 . . . . 0.0 109.401 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.69 88.06 1.67 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -105.93 141.86 36.62 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.502 -0.749 . . . . 0.0 110.824 -179.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 66.82 6.61 37.83 Favored Glycine 0 N--CA 1.49 2.262 0 N-CA-C 108.994 -1.642 . . . . 0.0 108.994 179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.56 ' HB1' ' HA ' ' C' ' 60' ' ' ALA . . . -72.27 22.78 0.05 Allowed 'General case' 0 C--N 1.3 -1.564 0 O-C-N 121.557 -0.966 . . . . 0.0 109.568 -179.208 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.74 109.73 2.34 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.171 -0.956 . . . . 0.0 109.674 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -102.22 12.29 36.94 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 121.196 -0.94 . . . . 0.0 110.205 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.509 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 6.1 mmt-85 -122.19 23.66 9.76 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 107.501 -1.296 . . . . 0.0 107.501 177.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.536 ' N ' HE21 ' A' ' 64' ' ' GLN . 0.0 OUTLIER -148.93 151.83 35.32 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.145 -1.057 . . . . 0.0 108.145 179.596 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 10.2 t -106.69 60.78 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.939 0 O-C-N 121.162 -0.961 . . . . 0.0 109.148 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.94 157.99 43.59 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.193 -0.942 . . . . 0.0 110.001 179.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -129.41 134.31 47.79 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.9 t -96.36 122.18 38.96 Favored 'General case' 0 N--CA 1.501 2.102 0 CA-C-O 121.917 0.865 . . . . 0.0 110.931 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.51 120.85 43.05 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -130.61 81.19 68.35 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.313 -0.867 . . . . 0.0 109.032 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -82.7 68.34 7.63 Favored 'Trans proline' 0 N--CA 1.491 1.373 0 C-N-CA 122.842 2.361 . . . . 0.0 112.312 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.492 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 45.1 t90 -68.31 135.06 91.1 Favored Pre-proline 0 N--CA 1.49 1.566 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.492 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 91.9 Cg_exo -39.42 149.05 0.11 Allowed 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.368 1.379 . . . . 0.0 111.022 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.549 HD21 ' NE2' ' C' ' 52' ' ' GLN . 2.0 t30 -127.04 -59.32 1.26 Allowed 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.345 -0.847 . . . . 0.0 109.034 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.38 126.46 36.47 Favored 'General case' 0 C--N 1.299 -1.626 0 N-CA-C 108.428 -0.952 . . . . 0.0 108.428 179.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 31.4 t -80.67 109.01 14.8 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 118.708 -1.197 . . . . 0.0 108.026 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 29.3 mt -79.54 137.44 37.18 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -178.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 78' ' ' THR . 5.2 t -86.51 115.17 61.22 Favored Pre-proline 0 N--CA 1.495 1.806 0 O-C-N 121.424 -0.797 . . . . 0.0 109.69 -179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -93.94 -45.89 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.031 0 C-N-CA 121.868 1.712 . . . . 0.0 113.458 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -121.41 -45.07 2.34 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -177.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.694 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 5.4 p90 -59.94 -50.11 75.03 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.395 -1.44 . . . . 0.0 113.424 -175.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.72 HD21 HH22 ' C' ' 41' ' ' ARG . 63.1 t30 -70.15 -39.73 75.18 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.143 -1.598 . . . . 0.0 111.015 -177.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -59.98 -49.84 76.08 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 120.901 -1.124 . . . . 0.0 110.387 -178.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -65.04 -41.91 94.79 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.525 -1.359 . . . . 0.0 109.852 -179.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.6 p -71.72 -40.05 69.72 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.185 -0.947 . . . . 0.0 109.906 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -69.94 -39.97 75.75 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.012 -1.055 . . . . 0.0 109.26 -179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -60.01 -41.01 91.24 Favored 'General case' 0 N--CA 1.485 1.308 0 C-N-CA 118.83 -1.148 . . . . 0.0 108.565 179.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.3 -41.44 96.99 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.112 -0.993 . . . . 0.0 108.532 178.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.499 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 59.1 t90 -59.98 -50.02 75.37 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.499 -0.75 . . . . 0.0 109.368 179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.66 -40.47 96.92 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.369 -0.832 . . . . 0.0 109.396 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -60.19 -44.45 95.07 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.389 -0.819 . . . . 0.0 110.456 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -59.99 -41.84 92.95 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 120.816 -1.178 . . . . 0.0 109.58 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.3 t -59.94 -42.14 88.38 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.539 0 O-C-N 121.171 -0.956 . . . . 0.0 108.91 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -59.97 -45.52 92.4 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.416 -0.803 . . . . 0.0 110.225 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -64.61 -40.03 94.77 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.041 -1.037 . . . . 0.0 109.938 -179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 83.6 mt -67.92 -40.56 83.37 Favored 'General case' 0 C--N 1.303 -1.416 0 C-N-CA 119.073 -1.051 . . . . 0.0 108.896 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.455 ' O ' HG23 ' A' ' 101' ' ' THR . 88.8 tt0 -61.13 -48.72 80.34 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.14 -0.975 . . . . 0.0 109.194 179.154 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.84 -41.87 96.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.296 -0.878 . . . . 0.0 109.502 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -65.93 -40.29 91.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.342 -0.849 . . . . 0.0 109.419 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.6 mt -68.6 -40.77 82.3 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.41 0 O-C-N 121.34 -0.85 . . . . 0.0 109.263 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 97' ' ' GLU . 35.4 p -61.72 -41.85 98.17 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.206 -0.934 . . . . 0.0 109.199 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.97 -49.93 75.75 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 121.301 -0.874 . . . . 0.0 109.206 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.423 HD11 ' HE ' ' C' ' 23' ' ' ARG . 93.9 mt -60.66 -42.92 97.99 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.233 -0.917 . . . . 0.0 109.33 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.445 HD23 HD11 ' A' ' 18' ' ' LEU . 83.8 mt -60.07 -48.5 81.44 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.141 -0.975 . . . . 0.0 109.071 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -59.94 -48.55 81.23 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.158 -0.964 . . . . 0.0 109.278 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.69 -42.53 97.35 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.305 -0.872 . . . . 0.0 109.169 179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.29 -45.3 93.84 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.314 -0.867 . . . . 0.0 109.513 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.98 -46.19 90.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.135 -0.978 . . . . 0.0 109.471 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.04 -49.83 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.279 -0.888 . . . . 0.0 109.4 179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -65.47 -40.07 92.73 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.327 -0.858 . . . . 0.0 109.793 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -59.97 -47.26 86.55 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.401 -0.812 . . . . 0.0 109.49 -179.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.37 -41.57 98.81 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.185 -0.947 . . . . 0.0 109.473 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -61.58 -41.34 97.26 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.275 -0.891 . . . . 0.0 109.329 -179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -60.03 -48.46 81.63 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.143 -0.973 . . . . 0.0 109.083 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.49 -40.16 95.15 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.237 -0.914 . . . . 0.0 108.903 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -59.96 -47.76 84.5 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.412 -0.805 . . . . 0.0 108.938 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.02 -39.94 93.98 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.17 -0.957 . . . . 0.0 109.091 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 63.5 tp -60.05 -42.91 95.47 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.508 -0.745 . . . . 0.0 109.472 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.546 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.8 mt-30 -61.02 -40.56 94.02 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.252 -0.905 . . . . 0.0 110.17 -179.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.07 -39.77 87.19 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.071 -1.018 . . . . 0.0 109.016 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.24 -47.66 84.52 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -123.79 61.14 1.09 Allowed 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.546 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 117.984 -1.008 . . . . 0.0 109.185 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 CA-C-O 121.352 0.596 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -77.99 146.06 35.63 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.287 -0.883 . . . . 0.0 109.379 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 28.7 p -88.49 61.75 6.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.336 -0.853 . . . . 0.0 109.077 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -63.8 -40.07 95.76 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.553 -0.717 . . . . 0.0 109.289 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.436 ' H ' HG22 ' B' ' 5' ' ' THR . 0.1 OUTLIER -60.82 -41.45 95.78 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.135 -0.978 . . . . 0.0 108.981 179.754 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.2 tp -62.31 -42.24 99.2 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.06 -1.025 . . . . 0.0 108.755 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 32.6 mt -60.07 -40.07 88.26 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.52 -0.737 . . . . 0.0 109.929 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.97 87.52 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.1 -1.0 . . . . 0.0 108.778 -179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.67 -46.36 54.58 Favored Glycine 0 N--CA 1.489 2.206 0 N-CA-C 109.121 -1.591 . . . . 0.0 109.121 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 91.4 mt -59.97 -46.26 94.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.304 -1.115 . . . . 0.0 109.727 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 57.0 t -60.03 -44.5 94.96 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.621 0 O-C-N 121.015 -1.053 . . . . 0.0 108.728 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -61.93 -40.0 94.0 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.261 -0.899 . . . . 0.0 109.728 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.02 -41.95 93.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.167 -0.958 . . . . 0.0 109.312 -179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -60.38 -42.3 95.56 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.046 -1.033 . . . . 0.0 108.762 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.58 -43.45 98.83 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.343 -0.848 . . . . 0.0 109.013 179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -60.1 -44.4 94.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.306 -0.871 . . . . 0.0 109.215 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.3 mt -61.73 -41.94 98.3 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.297 -0.877 . . . . 0.0 109.457 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.452 HD11 HD23 ' B' ' 104' ' ' LEU . 63.6 tp -60.22 -42.58 95.48 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.403 -0.811 . . . . 0.0 109.349 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -60.04 -47.55 85.38 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.283 -0.886 . . . . 0.0 110.057 -179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.37 -41.02 85.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.13 -0.981 . . . . 0.0 109.518 -179.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.99 -41.62 86.79 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.434 0 O-C-N 121.27 -0.894 . . . . 0.0 109.041 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -62.21 -41.09 98.06 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.435 -0.791 . . . . 0.0 109.125 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.435 ' HE ' HD11 ' C' ' 103' ' ' LEU . 53.7 mtt-85 -61.72 -40.03 93.61 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.354 -0.841 . . . . 0.0 109.951 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.99 -40.06 87.85 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.92 -1.113 . . . . 0.0 109.544 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 10.1 tp-100 -59.97 -49.7 76.65 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.124 -0.985 . . . . 0.0 109.057 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.37 -41.89 97.83 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.264 -0.898 . . . . 0.0 109.385 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.2 tp -60.95 -40.98 95.39 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.275 -0.891 . . . . 0.0 108.956 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 mt -60.41 -39.93 89.17 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.436 -0.79 . . . . 0.0 109.428 179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.02 -40.42 89.25 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.133 -0.979 . . . . 0.0 109.354 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.52 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 96.9 mt -61.69 -41.39 97.53 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.043 -1.036 . . . . 0.0 109.576 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 81.5 p -63.93 -40.36 96.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.183 -0.948 . . . . 0.0 109.759 -179.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 71.1 t -61.45 -40.15 85.36 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.238 -0.913 . . . . 0.0 109.23 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -60.08 -43.5 95.44 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.337 -0.852 . . . . 0.0 110.398 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.41 -49.83 74.31 Favored Glycine 0 N--CA 1.488 2.148 0 C-N-CA 119.491 -1.338 . . . . 0.0 109.792 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 93.4 m -59.9 -50.08 75.17 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.129 -1.218 . . . . 0.0 110.005 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -61.43 -40.05 93.02 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.111 -0.993 . . . . 0.0 109.717 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.671 ' ND2' HH21 ' B' ' 41' ' ' ARG . 51.8 t-20 -60.0 -40.86 90.67 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.415 -0.803 . . . . 0.0 109.487 -179.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 90.8 mt -60.25 -40.02 88.8 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.212 -0.93 . . . . 0.0 109.507 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -59.98 -40.51 89.38 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.068 -1.02 . . . . 0.0 109.703 -178.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.41 ' OG1' ' O ' ' B' ' 37' ' ' ASN . 81.2 p -60.02 -40.52 89.62 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.939 -1.101 . . . . 0.0 108.399 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.716 HH22 HD21 ' C' ' 82' ' ' ASN . 71.5 mtt180 -66.46 -40.0 89.15 Favored 'General case' 0 C--N 1.303 -1.445 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 179.129 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.04 -40.09 82.21 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.501 -0.749 . . . . 0.0 109.162 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' B' ' 40' ' ' THR . 73.9 p -60.02 -39.99 87.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.97 -1.081 . . . . 0.0 108.407 179.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.04 -43.5 95.32 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.204 -0.935 . . . . 0.0 108.792 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 86.7 mt -60.05 -39.76 81.27 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 O-C-N 121.4 -0.813 . . . . 0.0 109.177 179.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.04 -39.97 87.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.261 -0.9 . . . . 0.0 110.072 -178.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 40.8 mmtm -62.51 -42.08 99.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.876 -1.14 . . . . 0.0 109.076 179.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 55.1 m-85 -65.58 -39.75 91.96 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.274 -0.891 . . . . 0.0 109.704 179.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 57.8 mt -59.95 -39.56 86.02 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.053 -1.03 . . . . 0.0 108.763 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -59.95 -39.98 87.41 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.041 -1.037 . . . . 0.0 108.251 178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -60.05 -40.01 87.94 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.332 -0.855 . . . . 0.0 109.123 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.528 ' NE2' HD21 ' C' ' 74' ' ' ASN . 0.8 OUTLIER -59.96 -40.05 87.71 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.778 -1.201 . . . . 0.0 109.202 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.418 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -59.23 -35.68 74.08 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.962 -1.086 . . . . 0.0 108.63 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -60.05 -39.97 87.81 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.217 -0.927 . . . . 0.0 108.88 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 63.8 mt -71.6 114.01 9.24 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.123 -0.985 . . . . 0.0 109.058 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -134.49 -70.79 0.5 Allowed 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.578 -0.701 . . . . 0.0 109.35 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.93 88.09 1.65 Allowed 'General case' 0 N--CA 1.495 1.783 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -105.97 141.78 36.79 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 121.531 -0.73 . . . . 0.0 110.777 -179.033 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 66.69 6.86 38.25 Favored Glycine 0 N--CA 1.491 2.301 0 N-CA-C 108.983 -1.647 . . . . 0.0 108.983 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.531 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -72.69 22.66 0.06 Allowed 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.613 -0.934 . . . . 0.0 109.387 -179.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.31 109.93 2.47 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.005 -1.059 . . . . 0.0 109.687 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -102.41 12.14 36.98 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.123 -0.985 . . . . 0.0 110.193 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.507 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 6.2 mmt-85 -122.17 23.76 9.73 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 107.478 -1.304 . . . . 0.0 107.478 177.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.518 HE21 ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -149.13 151.88 35.15 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 108.151 -1.055 . . . . 0.0 108.151 179.61 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 10.1 t -106.78 60.79 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.168 -0.957 . . . . 0.0 109.036 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.79 158.08 43.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.241 -0.912 . . . . 0.0 109.927 179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -129.6 134.32 47.65 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 179.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 2.8 t -96.47 122.16 39.08 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.24 -0.912 . . . . 0.0 110.979 -178.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.56 120.51 41.83 Favored 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 60.6 t -130.33 81.29 68.63 Favored Pre-proline 0 N--CA 1.498 1.965 0 O-C-N 121.249 -0.907 . . . . 0.0 109.044 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -82.79 68.43 7.57 Favored 'Trans proline' 0 N--CA 1.49 1.286 0 C-N-CA 122.827 2.351 . . . . 0.0 112.373 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.496 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 45.5 t90 -68.24 135.27 91.29 Favored Pre-proline 0 N--CA 1.491 1.611 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.496 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 94.1 Cg_exo -39.68 149.05 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.198 0 C-N-CA 121.358 1.372 . . . . 0.0 111.087 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.549 ' O ' ' CD1' ' A' ' 48' ' ' TYR . 2.2 t30 -127.02 -59.56 1.25 Allowed 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.381 -0.825 . . . . 0.0 109.077 -179.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.13 126.31 36.17 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 30.5 t -80.36 108.75 14.23 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.697 -1.201 . . . . 0.0 108.145 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.1 mt -79.18 137.4 37.43 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -178.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.579 ' O ' HG23 ' B' ' 78' ' ' THR . 5.2 t -86.74 115.09 61.15 Favored Pre-proline 0 N--CA 1.495 1.788 0 O-C-N 121.38 -0.825 . . . . 0.0 109.736 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -93.94 -46.0 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.047 0 C-N-CA 121.821 1.681 . . . . 0.0 113.464 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -121.29 -44.98 2.35 Favored 'General case' 0 N--CA 1.505 2.321 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.692 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 5.5 p90 -59.97 -50.14 74.92 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 120.329 -1.482 . . . . 0.0 113.402 -175.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.719 HD21 HH22 ' A' ' 41' ' ' ARG . 62.6 t30 -70.26 -39.67 74.84 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.162 -1.586 . . . . 0.0 111.094 -178.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -60.04 -49.7 76.62 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.928 -1.108 . . . . 0.0 110.4 -178.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.26 -41.78 93.94 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.418 -1.427 . . . . 0.0 109.819 -179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 71.3 p -71.78 -40.02 69.53 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.194 -0.941 . . . . 0.0 109.913 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -69.97 -40.03 75.62 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.964 -1.085 . . . . 0.0 109.236 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -60.0 -41.08 91.3 Favored 'General case' 0 N--CA 1.485 1.302 0 O-C-N 120.909 -1.12 . . . . 0.0 108.508 179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -61.16 -41.61 97.08 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.2 -0.938 . . . . 0.0 108.646 178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.484 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 59.3 t90 -59.98 -50.05 75.29 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.444 -0.785 . . . . 0.0 109.302 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.53 -40.58 97.4 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.349 -0.845 . . . . 0.0 109.288 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -60.09 -44.64 94.64 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.359 -0.838 . . . . 0.0 110.491 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -60.02 -41.7 92.75 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.795 -1.19 . . . . 0.0 109.595 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 57.2 t -60.05 -42.04 88.42 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.493 0 O-C-N 121.11 -0.994 . . . . 0.0 108.925 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -59.96 -45.72 91.74 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.386 -0.821 . . . . 0.0 110.299 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -64.48 -40.02 94.9 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.961 -1.087 . . . . 0.0 109.931 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.85 -40.63 83.66 Favored 'General case' 0 N--CA 1.487 1.388 0 C-N-CA 118.939 -1.104 . . . . 0.0 108.947 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . 0.449 ' O ' HG23 ' B' ' 101' ' ' THR . 88.4 tt0 -60.97 -48.49 81.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.144 -0.973 . . . . 0.0 109.189 179.148 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.18 -41.61 97.11 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.408 -0.807 . . . . 0.0 109.52 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -66.03 -40.0 90.66 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.283 -0.886 . . . . 0.0 109.523 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 84.9 mt -69.09 -40.04 80.23 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.451 -0.781 . . . . 0.0 109.191 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . 0.449 HG23 ' O ' ' B' ' 97' ' ' GLU . 34.4 p -62.37 -41.66 98.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.149 -0.969 . . . . 0.0 109.052 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.03 -49.82 76.17 Favored 'General case' 0 N--CA 1.486 1.338 0 O-C-N 121.186 -0.946 . . . . 0.0 109.323 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.445 HD11 ' HE ' ' A' ' 23' ' ' ARG . 94.4 mt -60.94 -42.91 99.12 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.256 -0.903 . . . . 0.0 109.27 179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.452 HD23 HD11 ' B' ' 18' ' ' LEU . 83.7 mt -59.95 -48.51 81.41 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.136 -0.978 . . . . 0.0 109.141 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.01 -48.57 81.18 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.075 -1.016 . . . . 0.0 109.303 179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.76 -42.38 97.32 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.323 -0.861 . . . . 0.0 109.257 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.45 -45.08 94.98 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.35 -0.844 . . . . 0.0 109.48 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -59.99 -46.29 89.95 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.159 -0.963 . . . . 0.0 109.479 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.07 -49.88 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.238 -0.914 . . . . 0.0 109.455 179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -65.22 -40.09 93.66 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.316 -0.865 . . . . 0.0 109.738 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -60.02 -47.79 84.39 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.219 -0.925 . . . . 0.0 109.382 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -62.66 -42.1 99.43 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.119 -0.988 . . . . 0.0 109.387 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -61.11 -41.49 96.77 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.321 -0.862 . . . . 0.0 109.439 -179.652 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -60.04 -48.78 80.3 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.155 -0.966 . . . . 0.0 108.992 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.1 -40.1 95.49 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.324 -0.86 . . . . 0.0 108.977 179.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -60.06 -47.95 83.75 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.386 -0.821 . . . . 0.0 108.914 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.68 -39.94 93.23 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.238 -0.914 . . . . 0.0 109.14 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.06 -43.08 95.67 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.444 -0.785 . . . . 0.0 109.466 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.546 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.8 mt-30 -60.81 -40.45 92.75 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.23 -0.919 . . . . 0.0 110.174 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.4 mmtt -60.44 -39.77 88.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.003 -1.061 . . . . 0.0 108.963 179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.15 -47.5 85.05 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -123.87 61.1 1.09 Allowed 'General case' 0 N--CA 1.497 1.898 0 N-CA-C 108.882 -0.784 . . . . 0.0 108.882 178.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.546 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 118.101 -0.952 . . . . 0.0 109.209 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 28.4 mp0 -78.03 146.05 35.55 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.275 -0.89 . . . . 0.0 109.484 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 28.8 p -88.46 61.84 6.32 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.258 -0.901 . . . . 0.0 109.006 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -63.93 -40.01 95.47 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.476 -0.765 . . . . 0.0 109.261 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.406 HG22 ' H ' ' C' ' 5' ' ' THR . 0.1 OUTLIER -60.9 -41.79 96.78 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.161 -0.962 . . . . 0.0 109.005 179.698 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 62.6 tp -61.96 -42.09 98.73 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.061 -1.024 . . . . 0.0 108.709 179.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 33.4 mt -60.36 -40.02 89.25 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.567 -0.708 . . . . 0.0 109.96 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.94 87.49 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.096 -1.003 . . . . 0.0 108.772 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.67 -46.36 54.58 Favored Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.028 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.02 -46.19 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.411 -1.052 . . . . 0.0 109.704 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 56.9 t -59.97 -44.41 94.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.036 -1.04 . . . . 0.0 108.813 -179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -62.05 -39.94 94.08 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.164 -0.96 . . . . 0.0 109.8 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -60.06 -41.96 93.51 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.201 -0.937 . . . . 0.0 109.2 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -60.32 -42.09 94.89 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.052 -1.03 . . . . 0.0 108.756 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 66.8 tt0 -61.71 -43.54 98.66 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.449 -0.782 . . . . 0.0 109.055 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -60.07 -44.45 94.74 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.325 -0.859 . . . . 0.0 109.186 179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.57 -41.93 98.11 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.311 -0.868 . . . . 0.0 109.533 179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.463 HD11 HD23 ' C' ' 104' ' ' LEU . 63.6 tp -60.27 -42.77 96.1 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.322 -0.861 . . . . 0.0 109.207 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.95 -47.64 84.96 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.258 -0.901 . . . . 0.0 110.057 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 79.5 t -60.09 -41.1 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.078 -1.014 . . . . 0.0 109.688 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -41.71 86.94 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.386 0 O-C-N 121.442 -0.786 . . . . 0.0 108.972 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 62.9 tttm -62.12 -41.0 97.8 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.405 -0.81 . . . . 0.0 109.245 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.423 ' HE ' HD11 ' A' ' 103' ' ' LEU . 52.0 mtt-85 -61.89 -39.95 93.73 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.439 -0.788 . . . . 0.0 109.865 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.01 -40.1 88.12 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.007 -1.058 . . . . 0.0 109.455 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 10.2 tp-100 -60.02 -49.76 76.41 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.152 -0.967 . . . . 0.0 109.06 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -61.22 -41.86 97.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.168 -0.958 . . . . 0.0 109.447 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.91 -41.03 95.34 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.349 -0.844 . . . . 0.0 109.025 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.38 -39.98 89.21 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.451 -0.781 . . . . 0.0 109.421 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.01 -40.45 89.3 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.156 -0.965 . . . . 0.0 109.468 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.499 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 95.9 mt -61.76 -41.66 97.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.145 -0.972 . . . . 0.0 109.542 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -63.62 -40.36 96.7 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.083 -1.01 . . . . 0.0 109.765 -179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 71.9 t -61.64 -39.95 84.94 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.248 -0.908 . . . . 0.0 109.164 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -60.08 -43.42 95.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.324 -0.86 . . . . 0.0 110.469 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.32 -49.98 72.67 Favored Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.913 -1.275 . . . . 0.0 109.913 -179.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 93.9 m -59.94 -49.97 75.61 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.088 -1.242 . . . . 0.0 109.916 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -61.57 -39.99 93.11 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.183 -0.948 . . . . 0.0 109.685 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.664 ' ND2' HH21 ' C' ' 41' ' ' ARG . 52.0 t-20 -60.02 -40.6 89.86 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.416 -0.803 . . . . 0.0 109.516 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 90.4 mt -60.42 -40.06 89.66 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.132 -0.98 . . . . 0.0 109.563 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -59.96 -40.57 89.5 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.102 -0.999 . . . . 0.0 109.719 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 81.5 p -60.11 -40.39 89.54 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.84 -1.162 . . . . 0.0 108.497 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.72 HH22 HD21 ' A' ' 82' ' ' ASN . 71.3 mtt180 -66.52 -40.04 88.94 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 179.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.96 -40.06 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 O-C-N 121.446 -0.784 . . . . 0.0 109.202 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 72.4 p -60.05 -39.97 87.78 Favored 'General case' 0 N--CA 1.492 1.639 0 C-N-CA 118.86 -1.136 . . . . 0.0 108.5 179.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.99 -43.44 95.16 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.206 -0.934 . . . . 0.0 108.924 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.05 -39.72 81.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.389 -0.82 . . . . 0.0 109.149 179.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -60.03 -39.98 87.77 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.258 -0.901 . . . . 0.0 110.044 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -62.59 -41.96 99.27 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 120.77 -1.206 . . . . 0.0 109.048 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 55.3 m-85 -65.76 -39.52 91.12 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.378 -0.826 . . . . 0.0 109.664 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 58.0 mt -59.99 -39.55 86.12 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.976 -1.077 . . . . 0.0 108.767 179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -59.95 -40.0 87.5 Favored 'General case' 0 N--CA 1.491 1.603 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -60.01 -39.93 87.5 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.319 -0.863 . . . . 0.0 109.225 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.549 ' NE2' HD21 ' A' ' 74' ' ' ASN . 0.8 OUTLIER -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.755 -1.215 . . . . 0.0 109.058 -179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -59.28 -35.87 74.53 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.013 -1.054 . . . . 0.0 108.628 179.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -59.96 -40.06 87.77 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.395 -0.815 . . . . 0.0 108.862 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 66.1 mt -71.3 113.85 8.76 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.121 -0.987 . . . . 0.0 109.034 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 35.1 m120 -134.25 -71.15 0.5 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.549 -0.719 . . . . 0.0 109.396 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -147.93 88.13 1.66 Allowed 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.44 -0.948 . . . . 0.0 108.44 179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 61.0 m95 -105.93 142.17 36.09 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.499 -0.751 . . . . 0.0 110.666 -179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 66.52 6.69 36.3 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.108 -1.597 . . . . 0.0 109.108 179.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.56 ' HA ' ' HB1' ' A' ' 60' ' ' ALA . . . -72.57 22.94 0.06 Allowed 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.588 -0.948 . . . . 0.0 109.541 -179.287 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.74 109.6 2.33 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.14 -0.975 . . . . 0.0 109.686 179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -102.13 12.0 37.44 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.135 -0.978 . . . . 0.0 110.283 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.506 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 6.3 mmt-85 -121.91 23.67 9.94 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 177.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.527 HE21 ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -148.99 151.85 35.28 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 179.547 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 9.2 t -106.62 60.6 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.991 0 O-C-N 121.149 -0.969 . . . . 0.0 109.197 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.86 158.15 43.79 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.233 -0.917 . . . . 0.0 109.873 179.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -129.54 134.28 47.67 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 2.9 t -96.19 122.41 39.02 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.256 -0.902 . . . . 0.0 111.005 -178.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.85 120.74 42.48 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 60.1 t -130.72 80.99 68.73 Favored Pre-proline 0 N--CA 1.498 1.939 0 O-C-N 121.283 -0.885 . . . . 0.0 108.993 -179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -82.61 68.43 7.65 Favored 'Trans proline' 0 N--CA 1.49 1.303 0 C-N-CA 122.854 2.369 . . . . 0.0 112.421 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.497 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 45.5 t90 -68.28 135.52 91.22 Favored Pre-proline 0 N--CA 1.491 1.584 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.497 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 95.7 Cg_exo -39.52 148.98 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.175 0 C-N-CA 121.383 1.388 . . . . 0.0 111.104 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.545 ' O ' ' CD1' ' B' ' 48' ' ' TYR . 2.1 t30 -127.14 -59.46 1.24 Allowed 'General case' 0 N--CA 1.501 2.098 0 O-C-N 121.371 -0.83 . . . . 0.0 109.053 -179.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -91.3 126.4 36.37 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 30.0 t -80.6 109.03 14.73 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 120.798 -1.189 . . . . 0.0 108.196 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 30.2 mt -79.54 137.31 37.13 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 -178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.583 HG23 ' O ' ' C' ' 78' ' ' THR . 5.2 t -86.69 115.15 61.31 Favored Pre-proline 0 N--CA 1.494 1.769 0 O-C-N 121.316 -0.865 . . . . 0.0 109.74 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -93.83 -45.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.047 0 C-N-CA 121.892 1.728 . . . . 0.0 113.488 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 18.8 tptm -121.37 -44.96 2.35 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 -177.054 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.681 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 5.5 p90 -60.08 -49.99 75.48 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.252 -1.53 . . . . 0.0 113.41 -175.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.716 HD21 HH22 ' B' ' 41' ' ' ARG . 62.9 t30 -70.39 -39.77 74.33 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 120.144 -1.597 . . . . 0.0 111.164 -178.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . 0.402 HD21 ' NE2' ' C' ' 87' ' ' GLN . 13.3 t-20 -60.06 -49.51 77.38 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 120.974 -1.079 . . . . 0.0 110.408 -178.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -65.33 -41.84 93.55 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 120.473 -1.392 . . . . 0.0 109.863 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 72.5 p -71.7 -39.89 69.89 Favored 'General case' 0 C--N 1.303 -1.444 0 O-C-N 121.118 -0.989 . . . . 0.0 109.836 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 36.2 t-105 -70.09 -39.97 75.26 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.942 -1.099 . . . . 0.0 109.17 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . 0.402 ' NE2' HD21 ' C' ' 83' ' ' ASN . 88.6 mt-30 -60.01 -40.98 91.11 Favored 'General case' 0 C--N 1.307 -1.281 0 C-N-CA 118.849 -1.141 . . . . 0.0 108.573 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.5 -41.27 97.05 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.147 -0.971 . . . . 0.0 108.555 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.52 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 59.7 t90 -60.03 -49.95 75.66 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.461 -0.774 . . . . 0.0 109.343 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -63.67 -40.66 97.39 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.352 -0.842 . . . . 0.0 109.39 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 20.1 mmm180 -60.02 -44.54 94.52 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.425 -0.797 . . . . 0.0 110.496 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -60.01 -41.72 92.76 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.854 -1.154 . . . . 0.0 109.653 -179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 61.0 t -60.03 -42.13 88.65 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 O-C-N 121.152 -0.968 . . . . 0.0 108.947 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -59.92 -45.54 92.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.42 -0.8 . . . . 0.0 110.264 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -64.77 -39.89 94.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.008 -1.058 . . . . 0.0 109.895 -179.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 81.2 mt -68.16 -40.51 82.34 Favored 'General case' 0 C--N 1.304 -1.386 0 C-N-CA 119.005 -1.078 . . . . 0.0 108.891 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . 0.439 ' O ' HG23 ' C' ' 101' ' ' THR . 88.3 tt0 -60.97 -48.74 80.42 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.128 -0.982 . . . . 0.0 109.09 179.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -60.83 -41.86 96.6 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.398 -0.814 . . . . 0.0 109.517 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -65.94 -40.07 91.04 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.318 -0.864 . . . . 0.0 109.414 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 85.2 mt -68.97 -40.36 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.331 -0.855 . . . . 0.0 109.24 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . 0.439 HG23 ' O ' ' C' ' 97' ' ' GLU . 35.4 p -62.06 -41.53 98.24 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.159 -0.963 . . . . 0.0 109.264 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.8 76.25 Favored 'General case' 0 N--CA 1.486 1.361 0 O-C-N 121.296 -0.878 . . . . 0.0 109.261 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . 0.435 HD11 ' HE ' ' B' ' 23' ' ' ARG . 94.5 mt -61.12 -42.71 99.03 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.192 -0.943 . . . . 0.0 109.269 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . 0.463 HD23 HD11 ' C' ' 18' ' ' LEU . 83.6 mt -60.0 -48.63 80.91 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.149 -0.969 . . . . 0.0 109.088 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.04 -48.33 82.17 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.116 -0.99 . . . . 0.0 109.345 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.81 -42.83 98.45 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.255 -0.903 . . . . 0.0 109.216 179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.08 -45.19 93.75 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.324 -0.86 . . . . 0.0 109.437 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -59.95 -46.3 89.87 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.121 -0.987 . . . . 0.0 109.498 179.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.01 -49.8 82.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.33 -0.857 . . . . 0.0 109.351 179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 9.3 tp-100 -65.39 -40.02 92.94 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.247 -0.908 . . . . 0.0 109.753 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -59.98 -47.11 87.16 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.307 -0.871 . . . . 0.0 109.476 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -63.74 -41.05 98.09 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.171 -0.956 . . . . 0.0 109.479 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -62.12 -41.18 97.98 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 119.622 -0.831 . . . . 0.0 109.319 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -59.96 -48.77 80.36 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.148 -0.97 . . . . 0.0 109.112 179.332 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -64.19 -40.22 95.63 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.291 -0.88 . . . . 0.0 108.919 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -59.99 -47.89 83.95 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.381 -0.825 . . . . 0.0 108.959 179.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.73 -40.08 93.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.182 -0.948 . . . . 0.0 109.09 179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 63.8 tp -60.02 -42.88 95.3 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.453 -0.779 . . . . 0.0 109.359 -179.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.544 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.8 mt-30 -60.99 -40.84 95.04 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.272 -0.892 . . . . 0.0 110.049 -179.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -59.97 -39.32 85.24 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.983 -1.073 . . . . 0.0 109.288 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.4 mt -59.78 -47.47 85.56 Favored 'General case' 0 C--N 1.304 -1.389 0 N-CA-C 107.511 -1.292 . . . . 0.0 107.511 179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -123.77 61.32 1.08 Allowed 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 178.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.544 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.494 1.744 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.245 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.463 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 48.0 mt-30 -69.64 143.91 53.09 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.257 -0.902 . . . . 0.0 109.467 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -89.15 59.97 5.16 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.375 -0.828 . . . . 0.0 108.878 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -62.91 -40.11 96.58 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.331 -0.855 . . . . 0.0 109.023 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.54 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.5 t -61.49 -44.9 96.26 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.378 -0.826 . . . . 0.0 109.906 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.54 ' N ' HG23 ' A' ' 5' ' ' THR . 57.3 tp -60.34 -42.46 95.73 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.056 -1.028 . . . . 0.0 109.231 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.5 mt -60.48 -39.95 89.53 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.424 -0.797 . . . . 0.0 109.888 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.08 87.74 Favored 'General case' 0 C--N 1.303 -1.43 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.82 -48.23 50.26 Favored Glycine 0 N--CA 1.487 2.084 0 N-CA-C 109.002 -1.639 . . . . 0.0 109.002 178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.06 -47.74 90.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.24 -1.153 . . . . 0.0 109.664 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -59.93 -41.09 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.061 -1.025 . . . . 0.0 108.949 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -60.12 -40.2 88.9 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.529 -0.732 . . . . 0.0 109.536 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -59.92 -41.62 92.14 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.303 -0.873 . . . . 0.0 109.49 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -61.15 -41.03 96.03 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.953 -1.092 . . . . 0.0 109.11 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -60.14 -45.72 92.06 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.35 -0.844 . . . . 0.0 108.866 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.82 -43.38 98.3 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.297 -0.877 . . . . 0.0 109.663 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.81 -41.79 98.2 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.213 -0.929 . . . . 0.0 109.475 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.17 -43.61 95.7 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.163 -0.961 . . . . 0.0 109.244 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -60.29 -47.79 84.49 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.353 -0.842 . . . . 0.0 109.638 -179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 84.6 t -60.03 -40.4 83.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 O-C-N 120.973 -1.08 . . . . 0.0 109.95 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.05 -43.08 91.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 121.196 -0.94 . . . . 0.0 108.532 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -61.36 -40.78 95.57 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.388 -0.82 . . . . 0.0 109.176 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.474 ' NH1' HD22 ' B' ' 99' ' ' ASN . 30.1 mmt180 -60.59 -40.07 90.43 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.277 -0.89 . . . . 0.0 109.537 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -60.89 -40.29 92.5 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.04 -1.038 . . . . 0.0 109.724 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.01 -48.96 79.54 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.147 -0.971 . . . . 0.0 109.156 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -60.14 -43.53 95.63 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 109.309 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 31.2 tp -62.1 -41.37 98.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.359 -0.838 . . . . 0.0 109.26 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.2 mt -60.09 -40.36 89.35 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.501 -0.75 . . . . 0.0 109.358 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -60.4 -41.35 93.69 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.272 -0.892 . . . . 0.0 109.788 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.517 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 78.6 mt -64.36 -40.43 95.84 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.99 -1.069 . . . . 0.0 109.32 -179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.1 p -64.23 -40.24 95.64 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.181 -0.949 . . . . 0.0 109.574 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 67.7 t -62.06 -40.1 86.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.358 -0.839 . . . . 0.0 109.54 -179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 63.4 t90 -60.15 -41.88 93.72 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.322 -0.861 . . . . 0.0 109.805 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.17 -44.41 97.42 Favored Glycine 0 N--CA 1.487 2.055 0 N-CA-C 109.609 -1.396 . . . . 0.0 109.609 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 88.3 m -60.09 -49.99 75.47 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.173 -1.192 . . . . 0.0 109.385 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.3 mtmt -63.11 -39.89 96.01 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.321 -0.862 . . . . 0.0 109.046 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.605 HD21 ' NH2' ' A' ' 41' ' ' ARG . 59.5 t-20 -60.03 -40.64 90.06 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.39 -0.819 . . . . 0.0 109.773 -178.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.7 mt -60.63 -39.93 90.09 Favored 'General case' 0 C--N 1.306 -1.319 0 O-C-N 121.06 -1.025 . . . . 0.0 108.507 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -60.2 -40.61 90.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.163 -0.96 . . . . 0.0 109.388 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 49.4 p -60.73 -41.24 94.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.825 -1.172 . . . . 0.0 108.85 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.605 ' NH2' HD21 ' A' ' 37' ' ' ASN . 29.4 mtt-85 -65.6 -39.97 92.15 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 179.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 63.5 t -60.34 -42.37 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.574 -0.704 . . . . 0.0 109.319 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 54.5 p -60.12 -40.02 88.28 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.924 -1.11 . . . . 0.0 109.177 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.31 -40.28 95.8 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.999 -1.063 . . . . 0.0 108.228 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.13 -38.66 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.759 -0.588 . . . . 0.0 109.904 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -59.99 -41.04 91.18 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 -178.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.62 -46.07 91.66 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 119.803 -0.759 . . . . 0.0 109.204 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.453 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 45.8 m-85 -64.27 -39.98 95.05 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.477 -0.764 . . . . 0.0 110.193 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.502 HD23 ' NE2' ' A' ' 52' ' ' GLN . 82.5 mt -60.18 -41.08 92.15 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.724 -1.235 . . . . 0.0 109.118 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -60.28 -39.92 88.61 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 120.783 -1.198 . . . . 0.0 109.177 178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.07 -37.91 81.27 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.501 -0.749 . . . . 0.0 109.143 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.515 ' OE1' ' ND2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.23 -39.76 83.76 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.092 -1.005 . . . . 0.0 108.336 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.428 ' O ' ' OD1' ' A' ' 56' ' ' ASN . . . -59.66 -35.97 75.49 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.124 -0.985 . . . . 0.0 109.108 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.14 -39.77 83.45 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.395 -0.816 . . . . 0.0 108.838 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 86.6 mt -79.43 113.5 17.62 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.833 -1.167 . . . . 0.0 108.674 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.447 HD22 HD13 ' C' ' 55' ' ' LEU . 33.7 m120 -132.98 -68.16 0.6 Allowed 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.476 -0.765 . . . . 0.0 109.265 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -149.35 88.36 1.57 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.402 ' C ' ' H ' ' A' ' 60' ' ' ALA . 46.6 m95 -109.0 147.32 32.48 Favored 'General case' 0 N--CA 1.5 2.027 0 O-C-N 121.55 -0.718 . . . . 0.0 110.236 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.36 0.52 11.27 Favored Glycine 0 N--CA 1.491 2.362 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 179.371 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.479 ' HB1' ' HA ' ' C' ' 60' ' ' ALA . . . -72.06 25.75 0.05 OUTLIER 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.524 -0.986 . . . . 0.0 109.554 -179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -157.68 115.08 3.01 Favored 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.024 -1.048 . . . . 0.0 109.891 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -112.38 12.6 20.17 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 121.49 -0.756 . . . . 0.0 110.698 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.62 HH21 HH21 ' C' ' 63' ' ' ARG . 6.0 ptp180 -133.4 25.35 4.13 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 178.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -142.59 151.63 41.72 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 107.573 -1.269 . . . . 0.0 107.573 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 t -105.2 59.22 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.094 -1.004 . . . . 0.0 108.752 179.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.36 157.59 40.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.298 -0.876 . . . . 0.0 110.2 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.6 m170 -129.26 133.22 47.41 Favored 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 107.831 -1.174 . . . . 0.0 107.831 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 68' ' ' THR . 4.5 t -96.89 119.22 34.97 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.236 -0.915 . . . . 0.0 110.625 -177.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.522 ' O ' HG23 ' A' ' 69' ' ' THR . 6.8 t -117.14 120.73 39.21 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.42 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 81.9 t -126.07 91.04 48.93 Favored Pre-proline 0 N--CA 1.502 2.133 0 O-C-N 121.311 -0.868 . . . . 0.0 109.53 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -85.8 62.37 5.34 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 122.759 2.306 . . . . 0.0 112.363 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.524 ' CE3' ' O ' ' A' ' 73' ' ' PRO . 55.7 t90 -69.98 130.31 90.03 Favored Pre-proline 0 N--CA 1.49 1.574 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.524 ' O ' ' CE3' ' A' ' 72' ' ' TRP . 80.2 Cg_exo -40.46 146.67 0.28 Allowed 'Trans proline' 0 N--CA 1.488 1.181 0 C-N-CA 121.055 1.17 . . . . 0.0 111.176 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.515 ' ND2' ' OE1' ' A' ' 52' ' ' GLN . 10.3 t-20 -132.61 10.03 4.33 Favored 'General case' 0 N--CA 1.505 2.278 0 O-C-N 121.367 -0.833 . . . . 0.0 109.21 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.34 121.61 8.98 Favored 'General case' 0 C--N 1.299 -1.603 0 N-CA-C 108.259 -1.015 . . . . 0.0 108.259 -179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.4 p -82.07 105.0 12.81 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.83 -1.169 . . . . 0.0 108.595 -179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.1 mt -82.14 137.22 35.02 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 -179.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.444 ' OG1' ' CB ' ' A' ' 82' ' ' ASN . 0.0 OUTLIER -88.24 113.57 55.71 Favored Pre-proline 0 N--CA 1.494 1.752 0 O-C-N 121.132 -0.98 . . . . 0.0 109.448 179.216 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_endo -95.02 -48.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.031 0 C-N-CA 121.587 1.525 . . . . 0.0 113.869 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -122.59 -46.91 2.12 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 121.208 -0.932 . . . . 0.0 112.926 -178.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.686 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 7.5 p90 -60.06 -56.71 18.32 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.256 -1.527 . . . . 0.0 112.156 -176.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.686 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 0.5 OUTLIER -80.09 -36.4 35.54 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.421 -1.424 . . . . 0.0 109.597 -179.208 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -60.06 -49.88 75.91 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.07 -1.018 . . . . 0.0 109.384 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.56 -44.56 96.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.936 -1.103 . . . . 0.0 109.679 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 81' ' ' TRP . 66.8 p -63.54 -40.08 96.08 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.021 -1.049 . . . . 0.0 109.682 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.405 ' CZ2' ' CZ3' ' A' ' 89' ' ' TRP . 47.0 t-105 -61.78 -39.86 93.15 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 120.935 -1.103 . . . . 0.0 109.788 -179.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -60.23 -42.67 95.72 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 120.892 -1.13 . . . . 0.0 108.865 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -60.13 -43.16 95.88 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.547 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 72.0 t90 -60.0 -50.14 74.9 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.543 -0.723 . . . . 0.0 109.761 179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -64.05 -40.4 96.21 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.095 -1.003 . . . . 0.0 109.641 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -64.81 -40.07 94.61 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.098 -1.001 . . . . 0.0 110.226 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 63.5 mmtt -60.08 -41.88 93.42 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.783 -1.198 . . . . 0.0 109.156 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.85 -40.47 88.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.638 0 O-C-N 121.04 -1.037 . . . . 0.0 109.411 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.61 -41.47 94.87 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.128 -0.982 . . . . 0.0 110.6 -179.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -69.86 -39.99 76.01 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.905 -1.122 . . . . 0.0 109.8 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 98.1 mt -65.57 -40.42 92.74 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.217 -0.927 . . . . 0.0 109.668 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.27 -49.15 78.73 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.142 -0.974 . . . . 0.0 108.909 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.34 -43.25 96.63 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.393 -0.817 . . . . 0.0 109.405 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.514 HD22 ' NH1' ' C' ' 23' ' ' ARG . 98.6 m-20 -63.17 -40.62 98.06 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.298 -0.876 . . . . 0.0 109.888 -179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 85.5 mt -66.32 -41.88 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 120.993 -1.067 . . . . 0.0 109.16 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 24.5 p -60.88 -41.3 95.72 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.095 -1.003 . . . . 0.0 109.263 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.01 -46.29 91.37 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.172 -0.955 . . . . 0.0 109.574 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.1 mt -62.08 -44.49 96.56 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.382 -0.824 . . . . 0.0 109.751 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.15 -40.24 95.3 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.177 -0.952 . . . . 0.0 108.979 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.77 -41.9 96.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.205 -0.934 . . . . 0.0 109.628 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -69.16 -39.95 78.46 Favored 'General case' 0 C--N 1.302 -1.485 0 O-C-N 121.103 -0.998 . . . . 0.0 109.201 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.452 ' N ' HE22 ' C' ' 16' ' ' GLN . . . -61.58 -43.82 98.16 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.352 -0.842 . . . . 0.0 109.674 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.08 -48.06 83.31 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 121.138 -0.976 . . . . 0.0 109.194 -179.578 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.14 -49.75 82.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 O-C-N 121.222 -0.924 . . . . 0.0 108.957 179.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -63.63 -40.89 98.03 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.588 -0.695 . . . . 0.0 109.802 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 63.8 tp60 -60.12 -49.85 75.99 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.983 -1.073 . . . . 0.0 109.275 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -62.04 -40.62 96.38 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.424 -0.798 . . . . 0.0 109.714 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.2 mmtm -64.57 -40.23 95.17 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.331 -0.856 . . . . 0.0 109.768 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -68.23 -40.46 82.03 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.985 -1.072 . . . . 0.0 109.514 -179.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.88 -39.99 75.95 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.212 -0.93 . . . . 0.0 108.83 179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . 0.589 ' CZ ' ' NZ ' ' A' ' 120' ' ' LYS . 64.9 t80 -60.33 -48.65 80.82 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.614 -0.679 . . . . 0.0 109.357 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.28 -40.0 92.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.133 -0.979 . . . . 0.0 109.587 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.23 -42.86 96.13 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.195 -0.94 . . . . 0.0 109.857 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.6 mt-30 -61.25 -40.16 93.01 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.11 -0.994 . . . . 0.0 110.036 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.589 ' NZ ' ' CZ ' ' A' ' 116' ' ' TYR . 39.2 mmtm -60.11 -39.59 86.72 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.227 -0.921 . . . . 0.0 109.277 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 98.8 mt -57.67 -47.34 82.58 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 59.5 t-20 -124.16 60.58 1.13 Allowed 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.8 p . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.993 -1.003 . . . . 0.0 108.942 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.508 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.463 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 48.7 mt-30 -69.96 144.18 52.43 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.277 -0.889 . . . . 0.0 109.539 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -89.25 60.6 5.38 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.134 -0.978 . . . . 0.0 108.656 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.57 -39.97 95.76 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.405 -0.809 . . . . 0.0 109.006 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.554 HG23 ' N ' ' B' ' 6' ' ' LEU . 15.0 t -61.69 -44.85 96.16 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.579 -0.701 . . . . 0.0 109.806 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.554 ' N ' HG23 ' B' ' 5' ' ' THR . 55.9 tp -60.19 -42.62 95.43 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.053 -1.029 . . . . 0.0 108.927 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 59.7 mt -60.64 -39.89 89.97 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.326 -0.859 . . . . 0.0 109.875 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.0 87.33 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 120.915 -1.115 . . . . 0.0 108.113 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -68.79 -48.37 49.53 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 109.058 -1.617 . . . . 0.0 109.058 178.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -59.95 -47.56 91.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.214 -1.168 . . . . 0.0 109.621 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.14 -41.11 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.182 -0.949 . . . . 0.0 109.107 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -60.05 -40.21 88.65 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.445 -0.785 . . . . 0.0 109.222 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -60.05 -41.63 92.74 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.252 -0.905 . . . . 0.0 109.438 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -60.89 -41.22 95.6 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.073 -1.017 . . . . 0.0 109.168 179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.94 -45.71 91.74 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.312 -0.867 . . . . 0.0 109.036 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.476 HE22 ' N ' ' C' ' 107' ' ' ALA . 28.4 mt-30 -60.77 -43.37 98.12 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.372 -0.83 . . . . 0.0 109.574 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.99 -42.33 99.02 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.323 -0.861 . . . . 0.0 109.506 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 63.1 tp -59.94 -43.44 94.96 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.164 -0.96 . . . . 0.0 109.242 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.27 -47.62 85.23 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.299 -0.876 . . . . 0.0 109.776 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 87.7 t -60.35 -40.21 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.156 -0.965 . . . . 0.0 109.916 -179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.18 -42.39 90.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 O-C-N 121.277 -0.889 . . . . 0.0 108.844 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -62.17 -40.27 95.45 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.547 -0.72 . . . . 0.0 109.221 179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.61 ' NH1' HD22 ' C' ' 99' ' ' ASN . 30.2 mmt180 -61.11 -40.05 92.31 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.39 -0.818 . . . . 0.0 109.397 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -61.28 -39.98 92.45 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.084 -1.01 . . . . 0.0 109.511 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -60.0 -48.78 80.31 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.088 -1.008 . . . . 0.0 109.057 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -60.61 -43.6 97.26 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.242 -0.911 . . . . 0.0 109.348 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 31.4 tp -61.78 -41.56 97.87 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.223 -0.923 . . . . 0.0 109.264 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.12 -40.12 88.61 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.516 -0.74 . . . . 0.0 109.323 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -60.48 -41.14 93.62 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.327 -0.858 . . . . 0.0 109.848 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.545 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 80.5 mt -64.53 -40.48 95.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.106 -0.996 . . . . 0.0 109.369 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 61.3 p -64.29 -40.05 95.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.174 -0.954 . . . . 0.0 109.529 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.3 -40.2 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.264 -0.897 . . . . 0.0 109.472 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -59.95 -42.1 93.3 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.215 -0.928 . . . . 0.0 109.93 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -44.75 96.92 Favored Glycine 0 N--CA 1.486 2.026 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 89.4 m -60.16 -50.01 75.35 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.124 -1.221 . . . . 0.0 109.115 -179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -62.91 -39.94 96.09 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.263 -0.898 . . . . 0.0 109.19 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.593 HD21 ' NH2' ' B' ' 41' ' ' ARG . 60.3 t-20 -59.99 -40.55 89.58 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.223 -0.923 . . . . 0.0 109.66 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.401 ' O ' HG23 ' B' ' 42' ' ' VAL . 89.2 mt -60.29 -40.05 89.08 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.921 -1.112 . . . . 0.0 108.653 179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -60.02 -41.0 91.23 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.202 -0.936 . . . . 0.0 109.36 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 46.5 p -60.28 -41.54 93.58 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.021 -1.049 . . . . 0.0 108.935 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.593 ' NH2' HD21 ' B' ' 37' ' ' ASN . 28.4 mtt-85 -65.68 -40.05 91.95 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 178.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.401 HG23 ' O ' ' B' ' 38' ' ' LEU . 58.6 t -60.28 -42.2 89.74 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 121.539 -0.726 . . . . 0.0 109.464 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 51.1 p -60.0 -40.1 88.04 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.03 -1.044 . . . . 0.0 109.24 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.9 -40.07 96.44 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 82.6 mt -63.09 -38.43 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.756 -0.59 . . . . 0.0 109.761 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -60.04 -41.24 91.85 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -60.29 -46.27 90.44 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.489 -0.757 . . . . 0.0 109.318 178.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.448 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 46.3 m-85 -63.86 -40.3 96.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.417 -0.802 . . . . 0.0 110.112 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.503 HD23 ' NE2' ' B' ' 52' ' ' GLN . 82.0 mt -60.06 -40.4 89.34 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.779 -1.2 . . . . 0.0 109.147 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.21 -39.84 91.75 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.748 -1.22 . . . . 0.0 109.012 178.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -60.03 -37.88 81.08 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.438 -0.789 . . . . 0.0 109.291 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.503 ' NE2' HD23 ' B' ' 49' ' ' LEU . 0.0 OUTLIER -59.22 -39.87 84.06 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.122 -0.986 . . . . 0.0 108.417 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.427 ' O ' ' OD1' ' B' ' 56' ' ' ASN . . . -59.42 -35.75 74.58 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.244 -0.91 . . . . 0.0 109.204 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -59.25 -40.04 84.72 Favored 'General case' 0 C--N 1.3 -1.573 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 85.4 mt -79.41 113.57 17.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.914 -1.116 . . . . 0.0 108.677 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.427 ' OD1' ' O ' ' B' ' 53' ' ' ALA . 33.2 m120 -133.01 -68.79 0.58 Allowed 'General case' 0 N--CA 1.5 2.039 0 CA-C-O 121.571 0.7 . . . . 0.0 109.397 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.54 88.04 1.61 Allowed 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.402 ' C ' ' H ' ' B' ' 60' ' ' ALA . 47.8 m95 -108.73 146.81 32.94 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.497 -0.752 . . . . 0.0 110.428 -179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.498 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.58 0.61 12.78 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.023 -1.631 . . . . 0.0 109.023 179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.442 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -71.89 25.28 0.05 OUTLIER 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.472 -1.017 . . . . 0.0 109.43 -179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.498 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -157.46 115.31 3.11 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.825 -1.172 . . . . 0.0 109.946 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -112.78 12.44 19.57 Favored 'General case' 0 N--CA 1.505 2.322 0 O-C-N 121.607 -0.683 . . . . 0.0 110.604 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.555 HH21 HH21 ' C' ' 63' ' ' ARG . 5.9 ptp180 -132.91 25.3 4.3 Favored 'General case' 0 N--CA 1.498 1.963 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 177.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -142.61 151.77 41.83 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 4.7 t -105.38 59.35 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.004 -1.06 . . . . 0.0 108.582 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.12 157.34 40.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.262 -0.899 . . . . 0.0 110.207 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.8 m170 -129.22 133.49 47.56 Favored 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 107.788 -1.19 . . . . 0.0 107.788 178.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 4.4 t -97.18 119.58 35.94 Favored 'General case' 0 N--CA 1.5 2.03 0 O-C-N 121.198 -0.939 . . . . 0.0 110.497 -177.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.513 ' O ' HG23 ' B' ' 69' ' ' THR . 6.2 t -117.29 120.63 38.83 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.4 ' O ' ' OD1' ' B' ' 56' ' ' ASN . 93.9 t -125.99 90.73 49.65 Favored Pre-proline 0 N--CA 1.503 2.185 0 O-C-N 121.371 -0.831 . . . . 0.0 109.658 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -85.51 62.43 5.61 Favored 'Trans proline' 0 N--CA 1.49 1.265 0 C-N-CA 122.455 2.104 . . . . 0.0 112.344 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.527 ' CE3' ' O ' ' B' ' 73' ' ' PRO . 54.2 t90 -69.96 129.98 90.38 Favored Pre-proline 0 N--CA 1.492 1.668 0 O-C-N 121.256 -0.903 . . . . 0.0 108.604 179.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.527 ' O ' ' CE3' ' B' ' 72' ' ' TRP . 81.4 Cg_exo -40.09 146.71 0.24 Allowed 'Trans proline' 0 N--CA 1.49 1.302 0 C-N-CA 121.114 1.209 . . . . 0.0 111.113 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.5 ' ND2' ' OE1' ' B' ' 52' ' ' GLN . 10.5 t-20 -132.79 9.86 4.25 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 121.247 -0.908 . . . . 0.0 109.148 -179.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.24 121.39 8.9 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.368 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 96.2 p -81.95 105.01 12.72 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.963 -1.086 . . . . 0.0 108.81 -179.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 26.0 mt -82.36 137.18 34.83 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.442 ' OG1' ' CB ' ' B' ' 82' ' ' ASN . 0.0 OUTLIER -88.4 113.26 54.59 Favored Pre-proline 0 N--CA 1.496 1.835 0 O-C-N 121.298 -0.876 . . . . 0.0 109.306 179.472 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -94.97 -47.6 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.978 0 C-N-CA 121.664 1.576 . . . . 0.0 113.901 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -123.04 -46.51 2.08 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 121.285 -0.885 . . . . 0.0 112.932 -178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.694 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 7.8 p90 -60.4 -56.94 15.37 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.343 -1.473 . . . . 0.0 112.179 -176.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.694 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 0.5 OUTLIER -79.99 -36.59 35.78 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.461 -1.399 . . . . 0.0 109.618 -179.326 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 41.0 t30 -59.94 -49.59 77.08 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.069 -1.019 . . . . 0.0 109.553 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.81 -44.5 96.79 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.063 -1.023 . . . . 0.0 109.757 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.547 HG23 ' O ' ' B' ' 81' ' ' TRP . 66.8 p -63.34 -40.05 96.24 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.032 -1.042 . . . . 0.0 109.822 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . 0.407 ' CZ2' ' CZ3' ' B' ' 89' ' ' TRP . 47.0 t-105 -61.93 -40.02 94.06 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.064 -1.023 . . . . 0.0 109.576 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -60.13 -43.12 95.93 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 119.067 -1.053 . . . . 0.0 108.749 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.15 -42.76 95.6 Favored 'General case' 0 C--N 1.303 -1.436 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.517 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 71.8 t90 -60.05 -49.76 76.38 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.324 -0.86 . . . . 0.0 109.954 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -64.55 -40.4 95.51 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.113 -0.992 . . . . 0.0 109.486 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -64.24 -40.29 95.72 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.16 -0.963 . . . . 0.0 110.337 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 63.9 mmtt -59.99 -42.11 93.51 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.823 -1.173 . . . . 0.0 109.145 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.59 -40.44 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.097 -1.002 . . . . 0.0 109.498 179.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.77 -41.21 95.08 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.106 -0.996 . . . . 0.0 110.514 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -69.9 -40.1 75.84 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.946 -1.096 . . . . 0.0 109.78 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.68 -40.33 92.25 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.153 -0.967 . . . . 0.0 109.617 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.17 -49.13 78.85 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.078 -1.014 . . . . 0.0 109.122 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -60.31 -43.31 96.47 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.355 -0.841 . . . . 0.0 109.325 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.474 HD22 ' NH1' ' A' ' 23' ' ' ARG . 98.6 m-20 -63.27 -40.37 97.21 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.299 -0.876 . . . . 0.0 109.984 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 86.6 mt -66.55 -41.5 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.143 -0.973 . . . . 0.0 109.123 179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 24.2 p -61.59 -40.48 94.95 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.085 -1.009 . . . . 0.0 109.168 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.74 92.32 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.242 -0.911 . . . . 0.0 109.545 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.66 -43.46 98.76 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.186 -0.946 . . . . 0.0 109.913 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 81.6 mt -63.24 -40.13 96.56 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.081 -1.012 . . . . 0.0 108.988 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.37 -42.25 95.44 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.254 -0.904 . . . . 0.0 109.522 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -68.88 -39.99 79.48 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.081 -1.012 . . . . 0.0 109.233 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.7 -43.97 97.82 Favored 'General case' 0 C--N 1.304 -1.387 0 O-C-N 121.375 -0.828 . . . . 0.0 109.501 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -60.16 -48.09 83.19 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.174 -0.954 . . . . 0.0 109.149 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.19 -49.34 84.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.113 -0.992 . . . . 0.0 109.254 179.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -64.13 -40.47 96.25 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.372 -0.83 . . . . 0.0 109.956 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.24 -50.0 75.39 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.018 -1.051 . . . . 0.0 109.413 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.59 -40.97 96.68 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.336 -0.853 . . . . 0.0 109.607 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -64.56 -40.09 94.94 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.276 -0.89 . . . . 0.0 109.944 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -68.02 -40.59 82.92 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.022 -1.049 . . . . 0.0 109.606 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -69.72 -40.36 76.3 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.206 -0.934 . . . . 0.0 108.906 179.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . 0.581 ' CZ ' ' NZ ' ' B' ' 120' ' ' LYS . 64.9 t80 -59.76 -49.28 78.35 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.624 -0.672 . . . . 0.0 109.409 179.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.72 -40.31 91.85 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.167 -0.958 . . . . 0.0 109.69 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.04 -42.89 95.43 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.285 -0.885 . . . . 0.0 110.062 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.6 mt-30 -61.18 -40.21 93.08 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.048 -1.032 . . . . 0.0 110.067 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . 0.581 ' NZ ' ' CZ ' ' B' ' 116' ' ' TYR . 39.2 mmtm -60.03 -39.3 85.42 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.014 -1.054 . . . . 0.0 109.398 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 98.9 mt -58.21 -46.94 84.95 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -124.12 60.48 1.13 Allowed 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.465 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.8 p . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 117.972 -1.013 . . . . 0.0 109.093 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . 0.553 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.508 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 48.5 mt-30 -69.78 144.28 52.72 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.262 -0.899 . . . . 0.0 109.626 179.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -89.37 60.61 5.32 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.308 -0.87 . . . . 0.0 108.772 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -63.39 -39.97 95.95 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.323 -0.861 . . . . 0.0 109.006 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.549 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.8 t -61.68 -45.01 95.81 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.557 -0.714 . . . . 0.0 109.829 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.549 ' N ' HG23 ' C' ' 5' ' ' THR . 55.5 tp -60.46 -41.74 94.77 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.116 -0.99 . . . . 0.0 109.102 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 59.6 mt -61.17 -39.85 91.69 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.45 -0.781 . . . . 0.0 109.827 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.02 87.41 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.17 -47.8 50.68 Favored Glycine 0 N--CA 1.486 2.026 0 N-CA-C 109.123 -1.591 . . . . 0.0 109.123 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.14 -47.52 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.268 -1.137 . . . . 0.0 109.604 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.12 -41.26 85.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.265 -0.897 . . . . 0.0 108.974 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -60.11 -40.12 88.58 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.621 -0.674 . . . . 0.0 109.436 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -60.16 -41.53 93.02 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.354 -0.841 . . . . 0.0 109.419 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -61.24 -40.91 95.8 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.081 -1.012 . . . . 0.0 109.182 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -60.25 -45.26 93.87 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.38 -0.825 . . . . 0.0 108.857 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . 0.452 HE22 ' N ' ' A' ' 107' ' ' ALA . 28.2 mt-30 -61.53 -42.56 99.0 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.342 -0.849 . . . . 0.0 109.491 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -62.56 -42.01 99.27 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.143 -0.973 . . . . 0.0 109.463 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.2 -43.27 96.09 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.129 -0.982 . . . . 0.0 109.097 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -60.11 -47.91 83.93 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.394 -0.816 . . . . 0.0 109.752 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 88.1 t -60.16 -40.53 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.254 -0.903 . . . . 0.0 109.754 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.27 -42.09 89.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 O-C-N 121.029 -1.044 . . . . 0.0 108.767 -179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 8.1 ttpm? -62.18 -40.45 96.08 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 179.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.514 ' NH1' HD22 ' A' ' 99' ' ' ASN . 30.2 mmt180 -60.79 -40.34 92.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.299 -0.876 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.59 -40.33 91.36 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.008 -1.057 . . . . 0.0 109.757 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.04 -48.89 79.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.192 -0.942 . . . . 0.0 108.985 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.41 -43.34 96.81 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.203 -0.936 . . . . 0.0 109.516 179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 32.0 tp -62.54 -40.95 98.43 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.162 -0.961 . . . . 0.0 109.181 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.16 -40.23 89.19 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 121.465 -0.772 . . . . 0.0 109.231 179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -60.35 -41.83 94.49 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.276 -0.89 . . . . 0.0 109.714 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.547 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 79.7 mt -63.9 -40.57 96.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.139 -0.975 . . . . 0.0 109.215 -179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 59.2 p -64.05 -40.02 95.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.139 -0.975 . . . . 0.0 109.66 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 62.0 t -62.41 -40.09 86.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.444 -0.785 . . . . 0.0 109.643 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 63.5 t90 -60.09 -41.87 93.42 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.339 -0.85 . . . . 0.0 109.807 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.26 -44.69 97.22 Favored Glycine 0 N--CA 1.487 2.053 0 C-N-CA 119.351 -1.405 . . . . 0.0 109.681 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 85.5 m -60.02 -49.94 75.69 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.153 -1.204 . . . . 0.0 109.269 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -63.07 -39.82 95.84 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.213 -0.93 . . . . 0.0 109.054 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.567 HD21 ' NH2' ' C' ' 41' ' ' ARG . 60.4 t-20 -60.12 -40.57 90.2 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.279 -0.888 . . . . 0.0 109.641 -178.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 91.0 mt -60.36 -39.9 88.84 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.07 -1.019 . . . . 0.0 108.701 179.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -60.06 -40.76 90.57 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.247 -0.908 . . . . 0.0 109.428 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 44.7 p -60.91 -41.33 95.91 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.897 -1.127 . . . . 0.0 108.857 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.567 ' NH2' HD21 ' C' ' 37' ' ' ASN . 28.9 mtt-85 -65.56 -39.99 92.32 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 57.4 t -60.54 -42.12 90.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.401 0 O-C-N 121.53 -0.731 . . . . 0.0 109.487 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 48.2 p -60.02 -40.0 87.77 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.876 -1.14 . . . . 0.0 109.059 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.74 -40.49 97.39 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 108.067 -1.086 . . . . 0.0 108.067 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.75 -39.04 83.31 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.457 0 O-C-N 121.712 -0.617 . . . . 0.0 109.781 179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -59.91 -41.18 91.12 Favored 'General case' 0 C--N 1.303 -1.424 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -60.35 -45.91 91.8 Favored 'General case' 0 C--N 1.299 -1.611 0 C-N-CA 119.871 -0.732 . . . . 0.0 109.163 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.45 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 45.8 m-85 -64.27 -40.02 95.11 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.554 -0.716 . . . . 0.0 110.229 -179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . 0.494 HD23 ' NE2' ' C' ' 52' ' ' GLN . 83.6 mt -60.04 -41.43 92.23 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.655 -1.278 . . . . 0.0 109.166 179.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -60.23 -39.98 88.6 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.751 -1.218 . . . . 0.0 109.206 178.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.97 -37.74 80.49 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.437 -0.79 . . . . 0.0 109.168 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.519 ' OE1' ' ND2' ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.71 -39.43 84.6 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.035 -1.041 . . . . 0.0 108.504 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' C' ' 52' ' ' GLN . . . -60.02 -35.67 75.58 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.176 -0.952 . . . . 0.0 108.998 179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -59.15 -39.92 83.94 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.357 -0.84 . . . . 0.0 108.957 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.447 HD13 HD22 ' A' ' 56' ' ' ASN . 85.8 mt -79.53 113.7 17.88 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.871 -1.143 . . . . 0.0 108.627 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.416 ' OD1' ' O ' ' C' ' 53' ' ' ALA . 33.7 m120 -133.15 -68.69 0.58 Allowed 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.465 -0.772 . . . . 0.0 109.217 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.64 88.01 1.6 Allowed 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . . . . . . . . . 47.1 m95 -108.52 146.99 32.37 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.489 -0.757 . . . . 0.0 110.472 -179.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.86 0.69 14.71 Favored Glycine 0 N--CA 1.491 2.33 0 N-CA-C 109.03 -1.628 . . . . 0.0 109.03 179.292 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.479 ' HA ' ' HB1' ' A' ' 60' ' ' ALA . . . -72.27 25.51 0.05 Allowed 'General case' 0 C--N 1.297 -1.685 0 O-C-N 121.526 -0.985 . . . . 0.0 109.622 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.491 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -157.62 115.64 3.11 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.037 -1.04 . . . . 0.0 109.969 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 22.2 m-85 -112.85 12.54 19.5 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 121.658 -0.651 . . . . 0.0 110.503 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.62 HH21 HH21 ' A' ' 63' ' ' ARG . 5.8 ptp180 -133.17 24.98 4.21 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 107.889 -1.152 . . . . 0.0 107.889 177.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -142.04 151.89 42.85 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 107.563 -1.273 . . . . 0.0 107.563 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 t -105.52 59.15 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 O-C-N 121.133 -0.979 . . . . 0.0 108.726 179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -153.27 157.58 40.37 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.341 -0.849 . . . . 0.0 110.079 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -129.4 133.26 47.28 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 178.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 4.3 t -96.61 119.4 35.02 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.218 -0.926 . . . . 0.0 110.636 -177.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.498 ' O ' HG23 ' C' ' 69' ' ' THR . 6.3 t -117.01 120.46 38.45 Favored 'General case' 0 N--CA 1.494 1.76 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.409 ' O ' ' OD1' ' C' ' 56' ' ' ASN . 87.5 t -126.04 90.83 49.41 Favored Pre-proline 0 N--CA 1.503 2.203 0 O-C-N 121.244 -0.91 . . . . 0.0 109.489 -179.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -85.72 62.59 5.45 Favored 'Trans proline' 0 N--CA 1.49 1.3 0 C-N-CA 122.569 2.18 . . . . 0.0 112.177 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.518 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 52.7 t90 -69.98 130.05 90.28 Favored Pre-proline 0 N--CA 1.492 1.662 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 179.441 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.518 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 82.6 Cg_exo -40.55 146.88 0.27 Allowed 'Trans proline' 0 N--CA 1.489 1.213 0 C-N-CA 120.976 1.118 . . . . 0.0 111.213 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.519 ' ND2' ' OE1' ' C' ' 52' ' ' GLN . 10.7 t-20 -132.9 10.07 4.22 Favored 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.307 -0.871 . . . . 0.0 109.135 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -148.38 121.54 8.92 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 108.444 -0.947 . . . . 0.0 108.444 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 94.3 p -82.09 105.19 12.99 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.814 -1.178 . . . . 0.0 108.724 -178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 25.3 mt -82.51 137.48 34.61 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 109.158 -0.682 . . . . 0.0 109.158 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.446 ' OG1' ' CB ' ' C' ' 82' ' ' ASN . 0.0 OUTLIER -88.43 113.13 54.04 Favored Pre-proline 0 N--CA 1.494 1.772 0 O-C-N 121.315 -0.866 . . . . 0.0 109.522 179.274 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -95.11 -47.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -1.005 0 C-N-CA 121.618 1.545 . . . . 0.0 113.967 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -122.78 -46.72 2.1 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.309 -0.869 . . . . 0.0 112.911 -178.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.697 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 8.0 p90 -60.35 -56.62 19.21 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.314 -1.491 . . . . 0.0 112.276 -176.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.697 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 0.5 OUTLIER -80.19 -36.47 34.89 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.406 -1.434 . . . . 0.0 109.507 -179.18 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 41.4 t30 -60.01 -49.61 77.0 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.949 -1.095 . . . . 0.0 109.644 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.98 -44.39 97.45 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.051 -1.031 . . . . 0.0 109.669 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.555 HG23 ' O ' ' C' ' 81' ' ' TRP . 67.8 p -63.65 -40.05 95.89 Favored 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 119.255 -0.978 . . . . 0.0 109.925 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . 0.404 ' CZ2' ' CZ3' ' C' ' 89' ' ' TRP . 47.4 t-105 -61.86 -40.08 94.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.117 -0.989 . . . . 0.0 109.57 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -60.16 -42.68 95.43 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 120.81 -1.181 . . . . 0.0 108.783 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.02 -42.92 95.37 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.545 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 71.7 t90 -60.11 -49.83 76.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.565 -0.709 . . . . 0.0 109.86 179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.41 -40.11 95.14 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.146 -0.971 . . . . 0.0 109.536 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 85.5 mtm180 -65.18 -40.03 93.69 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.219 -0.926 . . . . 0.0 110.217 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -59.96 -42.05 93.25 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.8 -1.188 . . . . 0.0 109.093 179.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.64 -40.5 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.983 -1.073 . . . . 0.0 109.522 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.41 -41.39 93.83 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.108 -0.995 . . . . 0.0 110.663 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -70.04 -40.05 75.38 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.024 -1.048 . . . . 0.0 109.571 -179.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 98.0 mt -65.57 -40.84 93.24 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.177 -0.952 . . . . 0.0 109.478 -179.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.1 -48.96 79.55 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.087 -1.008 . . . . 0.0 109.194 179.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -60.34 -43.11 96.76 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.268 -0.895 . . . . 0.0 109.395 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . 0.61 HD22 ' NH1' ' B' ' 23' ' ' ARG . 98.6 m-20 -63.17 -40.82 98.63 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.328 -0.858 . . . . 0.0 109.828 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 88.8 mt -65.88 -42.09 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 120.943 -1.098 . . . . 0.0 109.228 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 24.9 p -61.27 -40.8 95.45 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.042 -1.036 . . . . 0.0 109.293 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.16 -46.47 90.39 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.359 -0.838 . . . . 0.0 109.669 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.41 -44.02 97.43 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.277 -0.889 . . . . 0.0 109.819 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 82.6 mt -62.55 -40.12 95.79 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.155 -0.966 . . . . 0.0 109.021 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.57 -42.02 95.78 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.362 -0.836 . . . . 0.0 109.663 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.25 -40.04 78.09 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.3 -0.875 . . . . 0.0 109.183 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . 0.476 ' N ' HE22 ' B' ' 16' ' ' GLN . . . -61.72 -43.74 98.27 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.262 -0.899 . . . . 0.0 109.743 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -60.22 -48.1 83.17 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.195 -0.941 . . . . 0.0 108.97 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.1 mt -60.15 -50.04 81.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.255 -0.903 . . . . 0.0 109.069 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -63.39 -40.84 98.32 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.278 -0.889 . . . . 0.0 109.939 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 63.6 tp60 -60.08 -49.97 75.54 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.015 -1.053 . . . . 0.0 109.202 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -61.62 -41.04 96.92 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.282 -0.886 . . . . 0.0 109.726 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -64.63 -40.05 94.78 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.15 -0.969 . . . . 0.0 109.787 -179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -68.04 -40.63 82.82 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.027 -1.045 . . . . 0.0 109.387 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.48 -40.18 77.24 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.056 -1.028 . . . . 0.0 108.877 179.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . 0.569 ' CZ ' ' NZ ' ' C' ' 120' ' ' LYS . 65.5 t80 -59.98 -48.63 80.93 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.622 -0.674 . . . . 0.0 109.61 179.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.27 -40.26 93.42 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.136 -0.978 . . . . 0.0 109.512 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.2 tp -59.94 -43.44 94.98 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.339 -0.851 . . . . 0.0 109.995 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.6 mt-30 -60.89 -40.15 91.98 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.045 -1.034 . . . . 0.0 110.243 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . 0.569 ' NZ ' ' CZ ' ' C' ' 116' ' ' TYR . 39.5 mmtm -60.0 -38.85 83.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.089 -1.007 . . . . 0.0 109.657 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 98.5 mt -58.5 -46.98 85.61 Favored 'General case' 0 C--N 1.303 -1.432 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 60.1 t-20 -124.41 60.65 1.15 Allowed 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.473 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.9 p . . . . . 0 N--CA 1.494 1.759 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.088 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 121.288 0.566 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.29 144.38 51.76 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.309 -0.869 . . . . 0.0 109.32 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 t -90.41 59.6 4.39 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.113 -0.992 . . . . 0.0 109.624 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 32.3 ttp180 -63.56 -39.95 95.72 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.497 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.9 t -59.99 -42.75 94.91 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.3 -0.875 . . . . 0.0 109.706 -179.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.497 ' N ' HG23 ' A' ' 5' ' ' THR . 64.6 tp -60.02 -41.55 92.43 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 178.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.7 -38.49 91.17 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.695 -0.628 . . . . 0.0 109.468 178.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -40.02 87.4 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.12 -0.988 . . . . 0.0 108.677 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.8 -45.22 59.08 Favored Glycine 0 N--CA 1.487 2.057 0 N-CA-C 109.124 -1.59 . . . . 0.0 109.124 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 93.8 mt -60.0 -48.35 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.308 -1.113 . . . . 0.0 109.876 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.0 -43.89 93.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.09 -1.006 . . . . 0.0 109.492 -179.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.19 -39.98 96.2 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.335 -0.853 . . . . 0.0 109.993 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -59.96 -40.7 89.94 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.162 -0.961 . . . . 0.0 109.111 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -61.84 -40.29 94.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.05 -1.031 . . . . 0.0 109.405 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 55.5 tt0 -59.89 -46.11 90.39 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.367 -0.833 . . . . 0.0 109.402 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -59.94 -43.74 94.8 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.378 -0.826 . . . . 0.0 109.453 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.8 mt -60.88 -42.19 97.44 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.334 -0.853 . . . . 0.0 109.085 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.463 HD11 HD23 ' A' ' 104' ' ' LEU . 47.1 tp -60.86 -43.74 97.97 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.331 -0.856 . . . . 0.0 108.818 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.404 ' OD1' ' NE ' ' A' ' 23' ' ' ARG . 7.4 t0 -60.03 -47.43 85.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.194 -0.942 . . . . 0.0 109.825 -179.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 75.9 t -60.7 -41.87 89.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.042 -1.036 . . . . 0.0 109.046 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.06 -46.07 94.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.435 -0.791 . . . . 0.0 109.153 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -59.92 -41.75 92.43 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.409 HH11 ' HG2' ' A' ' 23' ' ' ARG . 53.9 mtt-85 -60.55 -39.97 89.9 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.297 -0.877 . . . . 0.0 109.58 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.68 -39.99 90.48 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.154 -0.966 . . . . 0.0 109.401 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 66.2 tp60 -60.06 -46.84 88.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.126 -0.984 . . . . 0.0 109.06 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -66.57 -40.1 88.82 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.191 -0.943 . . . . 0.0 109.269 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.3 -40.56 97.68 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.206 -0.934 . . . . 0.0 109.462 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.41 HD13 HD23 ' C' ' 27' ' ' LEU . 28.6 mt -60.27 -40.28 89.79 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.328 -0.857 . . . . 0.0 109.694 179.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.91 -40.11 91.91 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.126 -0.984 . . . . 0.0 109.329 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.57 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 96.5 mt -61.92 -41.02 97.44 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.164 -0.96 . . . . 0.0 109.763 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.4 p -66.67 -40.05 88.42 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.092 -1.005 . . . . 0.0 109.676 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 60.4 t -60.59 -40.04 83.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.433 -0.792 . . . . 0.0 109.177 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 62.3 t90 -59.96 -43.91 94.76 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.204 -0.935 . . . . 0.0 109.724 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -47.75 89.49 Favored Glycine 0 N--CA 1.486 2.03 0 C-N-CA 119.273 -1.441 . . . . 0.0 109.829 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.04 -49.98 75.52 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.992 -1.299 . . . . 0.0 110.074 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.28 -40.02 94.86 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.111 -0.993 . . . . 0.0 109.752 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.663 HD21 HH21 ' A' ' 41' ' ' ARG . 54.6 t-20 -60.08 -40.58 90.03 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.291 -0.881 . . . . 0.0 109.784 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.8 mt -62.29 -40.0 94.83 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.122 -0.986 . . . . 0.0 109.967 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.05 -41.68 92.86 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.042 -1.036 . . . . 0.0 109.394 -179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 69.6 p -60.22 -40.04 88.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.957 -1.089 . . . . 0.0 108.858 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.663 HH21 HD21 ' A' ' 37' ' ' ASN . 34.0 mtt-85 -67.21 -39.98 86.36 Favored 'General case' 0 C--N 1.302 -1.475 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.03 -42.58 90.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.341 -0.849 . . . . 0.0 109.189 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 69.8 p -60.01 -40.13 88.23 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.089 -1.007 . . . . 0.0 109.866 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.37 -42.51 95.97 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.098 -1.001 . . . . 0.0 108.486 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 95.5 mt -60.85 -39.44 81.93 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.514 0 O-C-N 121.696 -0.627 . . . . 0.0 109.683 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -60.06 -40.53 89.78 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.174 -0.954 . . . . 0.0 109.038 -178.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.2 tptp -60.13 -46.48 89.5 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.486 -0.759 . . . . 0.0 109.675 179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.545 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 61.5 m-85 -65.62 -38.18 88.71 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.19 -0.944 . . . . 0.0 109.816 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 48.4 mt -59.92 -40.04 87.51 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.976 -1.078 . . . . 0.0 108.782 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -59.98 -40.02 87.69 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.85 -1.156 . . . . 0.0 107.98 178.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -59.9 -40.07 87.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.392 -0.817 . . . . 0.0 108.844 179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.644 ' NE2' ' N ' ' A' ' 53' ' ' ALA . 0.0 OUTLIER -59.87 -40.06 87.39 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.086 -1.009 . . . . 0.0 109.015 179.802 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.644 ' N ' ' NE2' ' A' ' 52' ' ' GLN . . . -60.01 -33.93 72.67 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.074 -1.016 . . . . 0.0 108.769 179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.438 ' O ' ' ND2' ' A' ' 56' ' ' ASN . 58.3 tt0 -59.13 -40.06 84.29 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 81.4 mt -77.19 116.83 18.15 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.582 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 38.2 m-80 -131.67 -70.05 0.59 Allowed 'General case' 0 N--CA 1.502 2.146 0 O-C-N 121.249 -0.907 . . . . 0.0 109.925 -179.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.12 87.67 1.62 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.267 -0.896 . . . . 0.0 108.841 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.432 ' CD1' ' N ' ' A' ' 58' ' ' TRP . 35.4 m95 -101.29 125.68 47.95 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.682 -0.636 . . . . 0.0 109.653 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 112.72 -5.16 26.06 Favored Glycine 0 N--CA 1.501 2.985 0 O-C-N 121.215 -0.928 . . . . 0.0 112.491 177.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.56 25.6 0.25 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.061 -1.846 . . . . 0.0 108.88 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.533 ' O ' ' CE1' ' B' ' 62' ' ' PHE . . . -93.46 101.58 13.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.499 -0.751 . . . . 0.0 109.751 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.534 ' CE1' ' O ' ' C' ' 61' ' ' ALA . 13.3 m-85 -106.85 7.18 30.02 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.912 -1.118 . . . . 0.0 109.235 179.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -158.87 24.95 0.22 Allowed 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 177.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -143.28 151.2 40.27 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.446 -0.784 . . . . 0.0 109.954 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.6 t -110.8 57.6 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 177.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.39 159.85 44.05 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.747 -0.596 . . . . 0.0 109.699 -179.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -120.81 133.79 55.31 Favored 'General case' 0 N--CA 1.498 1.937 0 O-C-N 121.64 -0.662 . . . . 0.0 109.223 179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.536 ' O ' HG23 ' A' ' 68' ' ' THR . 8.2 t -94.86 119.8 34.02 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.222 -0.924 . . . . 0.0 110.117 -178.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.544 ' O ' HG23 ' A' ' 69' ' ' THR . 9.4 t -112.37 121.47 44.95 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.582 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 47.0 t -119.43 97.51 50.19 Favored Pre-proline 0 N--CA 1.499 1.983 0 O-C-N 121.441 -0.787 . . . . 0.0 109.45 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.5 Cg_endo -81.35 66.73 8.65 Favored 'Trans proline' 0 N--CA 1.49 1.271 0 C-N-CA 122.157 1.905 . . . . 0.0 112.184 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.456 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 19.6 t90 -69.2 129.44 91.95 Favored Pre-proline 0 N--CA 1.49 1.547 0 N-CA-C 108.663 -0.865 . . . . 0.0 108.663 179.699 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -38.04 148.9 0.08 OUTLIER 'Trans proline' 0 N--CA 1.488 1.204 0 C-N-CA 121.507 1.471 . . . . 0.0 111.543 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.556 HD22 ' NE2' ' A' ' 52' ' ' GLN . 17.2 t-20 -128.28 -59.16 1.18 Allowed 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 -179.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.06 125.19 34.44 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.8 p -80.24 109.98 15.23 Favored 'General case' 0 C--N 1.303 -1.423 0 C-N-CA 118.854 -1.139 . . . . 0.0 108.229 -179.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.3 mt -79.7 137.12 36.96 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.81 0.814 . . . . 0.0 110.075 -178.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.547 HG23 ' O ' ' A' ' 78' ' ' THR . 5.2 t -87.68 114.75 60.39 Favored Pre-proline 0 N--CA 1.491 1.597 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -91.27 -47.42 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.133 0 C-N-CA 121.699 1.599 . . . . 0.0 114.058 -179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -121.61 -44.34 2.34 Favored 'General case' 0 N--CA 1.504 2.233 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -177.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.3 p90 -59.98 -50.13 74.96 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 120.321 -1.487 . . . . 0.0 112.418 -175.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.623 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.9 t30 -72.45 -43.44 63.75 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.151 -1.593 . . . . 0.0 110.368 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -60.0 -49.74 76.47 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.007 -1.058 . . . . 0.0 110.841 -178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.01 -42.21 94.65 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 120.697 -1.252 . . . . 0.0 109.746 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 81' ' ' TRP . 74.6 p -70.05 -40.0 75.38 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.23 -0.919 . . . . 0.0 109.585 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.2 t-105 -67.94 -39.91 83.39 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.292 -179.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -60.07 -40.39 89.36 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.664 -1.273 . . . . 0.0 108.238 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.02 -40.08 94.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 120.986 -1.071 . . . . 0.0 108.524 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.549 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 74.6 t90 -59.91 -49.84 76.12 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.513 -0.742 . . . . 0.0 110.109 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -64.56 -40.91 96.43 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.155 -0.966 . . . . 0.0 109.81 -179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 54.0 mtt-85 -61.94 -42.18 98.82 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.967 -1.083 . . . . 0.0 110.377 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -60.05 -43.22 95.52 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.772 -1.205 . . . . 0.0 109.525 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -60.56 -42.3 91.01 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 O-C-N 121.267 -0.896 . . . . 0.0 109.42 179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -60.2 -40.06 88.72 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.3 -0.875 . . . . 0.0 111.118 -179.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -69.07 -40.0 78.73 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.791 -1.193 . . . . 0.0 109.39 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.2 mt -67.49 -39.96 85.21 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.203 -0.936 . . . . 0.0 109.889 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.432 ' O ' HG23 ' A' ' 101' ' ' THR . 96.8 mt-10 -67.22 -40.03 86.35 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.789 -1.195 . . . . 0.0 109.851 -179.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -68.15 -39.92 82.54 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.186 -0.946 . . . . 0.0 109.575 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -68.05 -40.04 82.88 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.37 -0.831 . . . . 0.0 109.741 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 84.6 mt -66.16 -40.87 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 O-C-N 121.139 -0.976 . . . . 0.0 109.667 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 97' ' ' GLU . 41.1 p -64.08 -40.54 96.47 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.038 -1.039 . . . . 0.0 109.361 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.56 -49.15 78.7 Favored 'General case' 0 N--CA 1.488 1.425 0 O-C-N 121.301 -0.874 . . . . 0.0 109.735 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 93.3 mt -63.09 -41.66 99.45 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.102 -0.999 . . . . 0.0 109.823 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.463 HD23 HD11 ' A' ' 18' ' ' LEU . 84.7 mt -61.38 -41.28 96.85 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.091 -1.006 . . . . 0.0 109.618 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -64.59 -42.94 95.25 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.104 -0.998 . . . . 0.0 109.193 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -64.14 -40.46 96.22 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.41 -0.807 . . . . 0.0 109.755 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.33 -40.24 95.69 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.32 -0.862 . . . . 0.0 109.687 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.419 HE21 ' CD2' ' A' ' 18' ' ' LEU . 38.5 mm-40 -59.92 -49.96 75.64 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.188 -0.945 . . . . 0.0 109.637 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.12 -47.12 93.25 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.307 -0.871 . . . . 0.0 109.245 179.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -69.46 -40.1 77.34 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.494 -0.754 . . . . 0.0 110.578 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -59.97 -45.95 91.03 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.952 -1.092 . . . . 0.0 109.679 -179.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.87 -39.99 95.5 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.104 -0.997 . . . . 0.0 109.506 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -65.65 -40.01 92.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.239 -0.913 . . . . 0.0 109.83 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -60.06 -41.42 92.32 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.008 -1.057 . . . . 0.0 109.649 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' A' ' 115' ' ' MET . 12.4 tmm? -70.03 -40.56 75.09 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.972 -1.08 . . . . 0.0 109.137 179.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -62.02 -44.45 96.68 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.392 -0.817 . . . . 0.0 109.184 179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.36 -39.96 89.03 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.369 -0.832 . . . . 0.0 109.202 179.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 13.4 tp -60.01 -40.92 90.92 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -63.38 -39.86 95.67 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.374 -0.829 . . . . 0.0 109.626 179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -59.51 -34.4 72.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.213 -0.93 . . . . 0.0 109.58 -179.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 121' ' ' LEU . 87.6 mt -57.44 -48.87 78.02 Favored 'General case' 0 C--N 1.3 -1.577 0 C-N-CA 119.077 -1.049 . . . . 0.0 108.5 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -143.71 65.83 1.3 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.145 -0.972 . . . . 0.0 109.88 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 118.049 -0.977 . . . . 0.0 109.037 179.357 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.43 144.52 51.47 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.335 -0.853 . . . . 0.0 109.309 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -90.46 59.57 4.36 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.235 -0.916 . . . . 0.0 109.649 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 32.2 ttp180 -63.7 -39.94 95.55 Favored 'General case' 0 C--N 1.305 -1.369 0 O-C-N 121.157 -0.964 . . . . 0.0 108.704 179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.514 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.9 t -60.0 -42.81 95.06 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.36 -0.838 . . . . 0.0 109.777 -179.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.514 ' N ' HG23 ' B' ' 5' ' ' THR . 64.0 tp -60.02 -41.47 92.25 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 27.1 mt -64.77 -38.45 91.02 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -39.96 87.85 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.155 -0.965 . . . . 0.0 108.594 -179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.78 -45.23 59.13 Favored Glycine 0 N--CA 1.487 2.061 0 N-CA-C 109.103 -1.599 . . . . 0.0 109.103 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 93.3 mt -59.97 -48.38 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 121.32 -1.106 . . . . 0.0 109.788 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.95 -44.11 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 121.03 -1.044 . . . . 0.0 109.355 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -62.97 -39.98 96.32 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.299 -0.876 . . . . 0.0 110.028 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -60.02 -40.67 90.11 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.128 -0.983 . . . . 0.0 109.146 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -61.89 -40.31 94.96 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.134 -0.979 . . . . 0.0 109.373 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -59.96 -45.94 91.02 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.266 -0.896 . . . . 0.0 109.444 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.02 -43.77 95.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.42 -0.8 . . . . 0.0 109.516 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.71 -42.62 97.61 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.187 -0.946 . . . . 0.0 109.018 179.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.462 HD11 HD23 ' B' ' 104' ' ' LEU . 46.1 tp -60.49 -43.64 96.81 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.417 -0.802 . . . . 0.0 108.952 179.604 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -60.02 -47.42 85.91 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.264 -0.898 . . . . 0.0 109.873 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.4 t -61.01 -41.76 90.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.999 -1.063 . . . . 0.0 109.021 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.0 -46.01 94.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.428 -0.795 . . . . 0.0 109.091 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -60.06 -41.76 93.03 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.422 HH11 ' HG2' ' B' ' 23' ' ' ARG . 53.7 mtt-85 -60.49 -39.98 89.67 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.34 -0.85 . . . . 0.0 109.545 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.67 -40.0 90.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.185 -0.947 . . . . 0.0 109.444 179.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -59.95 -46.63 88.78 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.108 -0.995 . . . . 0.0 109.233 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.81 -39.99 87.92 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.142 -0.974 . . . . 0.0 109.342 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 30.3 tp -63.43 -40.19 96.49 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.311 -0.868 . . . . 0.0 109.474 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 27.5 mt -60.56 -40.5 91.83 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.402 -0.811 . . . . 0.0 109.616 179.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.74 -40.18 91.43 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.094 -1.004 . . . . 0.0 109.354 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.555 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 97.2 mt -61.88 -40.99 97.31 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.227 -0.921 . . . . 0.0 109.712 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 80.8 p -66.84 -40.06 87.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.148 -0.97 . . . . 0.0 109.679 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 57.3 t -60.5 -40.1 83.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.454 0 O-C-N 121.309 -0.869 . . . . 0.0 109.076 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 63.1 t90 -59.98 -43.95 94.8 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.243 -0.91 . . . . 0.0 109.724 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -47.51 90.68 Favored Glycine 0 N--CA 1.488 2.137 0 C-N-CA 119.364 -1.398 . . . . 0.0 109.832 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.0 m -60.17 -50.02 75.32 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.021 -1.282 . . . . 0.0 110.158 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.27 -39.98 94.7 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.015 -1.053 . . . . 0.0 109.689 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.644 HD21 HH21 ' B' ' 41' ' ' ARG . 54.5 t-20 -60.07 -40.87 91.0 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.272 -0.892 . . . . 0.0 109.685 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 85.7 mt -62.17 -39.86 94.08 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.087 -1.008 . . . . 0.0 110.0 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.04 -41.59 92.6 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.057 -1.027 . . . . 0.0 109.46 -179.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 69.3 p -60.2 -40.16 89.13 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.977 -1.077 . . . . 0.0 108.859 179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.644 HH21 HD21 ' B' ' 37' ' ' ASN . 34.4 mtt-85 -67.1 -40.1 86.84 Favored 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 108.413 -0.958 . . . . 0.0 108.413 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.94 -42.67 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.3 -0.875 . . . . 0.0 109.131 179.473 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 70.6 p -60.05 -40.29 88.95 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.068 -1.02 . . . . 0.0 109.763 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.27 -42.29 95.07 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.114 -0.991 . . . . 0.0 108.575 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 95.4 mt -61.05 -39.39 82.1 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.55 0 O-C-N 121.774 -0.579 . . . . 0.0 109.67 179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -59.98 -40.71 90.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.138 -0.976 . . . . 0.0 108.988 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.06 -46.9 88.02 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.414 -0.803 . . . . 0.0 109.602 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.505 ' CD1' ' O ' ' C' ' 74' ' ' ASN . 61.4 m-85 -65.12 -38.33 90.3 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.261 -0.9 . . . . 0.0 109.887 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 49.1 mt -59.96 -40.02 87.6 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 120.846 -1.159 . . . . 0.0 108.842 179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -59.99 -39.95 87.49 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -60.06 -39.93 87.72 Favored 'General case' 0 N--CA 1.493 1.695 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.654 ' NE2' ' N ' ' B' ' 53' ' ' ALA . 0.0 OUTLIER -59.96 -40.02 87.62 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.153 -0.967 . . . . 0.0 108.941 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.654 ' N ' ' NE2' ' B' ' 52' ' ' GLN . . . -60.04 -33.93 72.69 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.99 -1.069 . . . . 0.0 108.823 179.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.435 ' O ' ' ND2' ' B' ' 56' ' ' ASN . 58.4 tt0 -59.14 -40.04 84.25 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 78.0 mt -77.18 116.83 18.14 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 107.777 -1.194 . . . . 0.0 107.777 178.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.577 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 37.2 m-80 -131.71 -69.99 0.59 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 121.236 -0.915 . . . . 0.0 109.888 -179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.22 87.89 1.62 Allowed 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.259 -0.9 . . . . 0.0 108.953 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.429 ' CD1' ' N ' ' B' ' 58' ' ' TRP . 35.5 m95 -101.67 125.75 48.39 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.776 -0.578 . . . . 0.0 109.608 -179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 112.63 -5.04 26.2 Favored Glycine 0 N--CA 1.501 2.981 0 O-C-N 121.307 -0.871 . . . . 0.0 112.454 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.36 25.32 0.24 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.049 -1.853 . . . . 0.0 108.989 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.545 ' O ' ' CE1' ' C' ' 62' ' ' PHE . . . -93.26 101.76 14.02 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.506 -0.746 . . . . 0.0 109.819 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.533 ' CE1' ' O ' ' A' ' 61' ' ' ALA . 13.3 m-85 -107.06 7.28 29.65 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.889 -1.132 . . . . 0.0 109.238 179.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -158.89 24.84 0.21 Allowed 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 177.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -143.11 151.53 40.83 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.413 -0.805 . . . . 0.0 109.927 -178.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 13.6 t -110.98 57.73 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 N-CA-C 106.921 -1.511 . . . . 0.0 106.921 177.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.48 160.02 43.91 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.725 -0.609 . . . . 0.0 109.579 -178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -121.02 133.79 55.27 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.537 HG23 ' O ' ' B' ' 68' ' ' THR . 8.1 t -94.81 119.75 33.91 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.201 -0.937 . . . . 0.0 110.015 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.545 ' O ' HG23 ' B' ' 69' ' ' THR . 9.6 t -112.33 121.67 45.54 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.577 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 47.1 t -119.44 97.65 50.17 Favored Pre-proline 0 N--CA 1.501 2.083 0 O-C-N 121.466 -0.771 . . . . 0.0 109.493 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -81.58 66.84 8.53 Favored 'Trans proline' 0 N--CA 1.491 1.351 0 C-N-CA 122.126 1.884 . . . . 0.0 112.054 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.445 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 19.7 t90 -69.3 129.49 91.78 Favored Pre-proline 0 N--CA 1.49 1.571 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.422 ' C ' ' O ' ' B' ' 72' ' ' TRP . 68.1 Cg_exo -38.11 149.01 0.08 OUTLIER 'Trans proline' 0 N--CA 1.487 1.138 0 C-N-CA 121.469 1.446 . . . . 0.0 111.562 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.569 HD22 ' NE2' ' B' ' 52' ' ' GLN . 17.3 t-20 -128.36 -59.4 1.16 Allowed 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.7 125.47 34.42 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 17.8 p -80.4 110.02 15.46 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.848 -1.157 . . . . 0.0 108.056 -179.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.6 mt -79.72 137.21 36.97 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-O 121.797 0.808 . . . . 0.0 109.937 -178.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.538 ' O ' HG23 ' B' ' 78' ' ' THR . 5.2 t -87.51 115.02 61.48 Favored Pre-proline 0 N--CA 1.491 1.622 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -91.25 -47.61 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.111 0 C-N-CA 121.755 1.637 . . . . 0.0 114.08 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -121.62 -44.18 2.35 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -177.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.623 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.2 p90 -59.94 -50.05 75.28 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.21 -1.556 . . . . 0.0 112.503 -175.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.623 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.7 t30 -72.49 -43.53 63.51 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.156 -1.59 . . . . 0.0 110.349 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -59.92 -49.79 76.32 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.08 -1.012 . . . . 0.0 110.836 -178.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -65.01 -42.01 94.85 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 120.729 -1.232 . . . . 0.0 109.781 -179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.441 HG23 ' O ' ' B' ' 81' ' ' TRP . 73.7 p -70.2 -40.03 74.82 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.29 -0.881 . . . . 0.0 109.556 179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 25.0 t-105 -67.83 -39.98 83.8 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 119.065 -1.054 . . . . 0.0 109.314 -179.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -59.95 -40.39 88.82 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.617 -1.302 . . . . 0.0 108.343 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -65.18 -40.09 93.78 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 120.982 -1.074 . . . . 0.0 108.439 178.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.57 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 74.4 t90 -59.9 -50.06 75.25 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.512 -0.743 . . . . 0.0 110.043 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.35 -40.73 96.44 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.026 -1.046 . . . . 0.0 109.863 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 54.2 mtt-85 -62.04 -42.06 98.77 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.963 -1.086 . . . . 0.0 110.352 -179.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 49.1 mttp -60.08 -42.88 95.56 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.854 -1.154 . . . . 0.0 109.542 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.6 t -61.14 -41.85 90.98 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 121.344 -0.848 . . . . 0.0 109.361 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -60.5 -40.16 90.4 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.301 -0.874 . . . . 0.0 110.987 -179.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -68.93 -39.95 79.31 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.726 -1.234 . . . . 0.0 109.417 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.54 -39.96 84.99 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.149 -0.97 . . . . 0.0 109.99 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . 0.426 ' O ' HG23 ' B' ' 101' ' ' THR . 96.8 mt-10 -67.23 -39.99 86.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 120.891 -1.131 . . . . 0.0 109.774 -179.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.2 -39.94 82.29 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.226 -0.921 . . . . 0.0 109.554 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -68.21 -39.91 82.25 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.335 -0.853 . . . . 0.0 109.792 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 85.6 mt -66.16 -40.93 88.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.063 -1.023 . . . . 0.0 109.635 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . 0.426 HG23 ' O ' ' B' ' 97' ' ' GLU . 40.7 p -63.85 -40.78 97.39 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.914 -1.116 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.35 -49.17 78.65 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.354 -0.841 . . . . 0.0 109.829 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 93.1 mt -63.26 -41.51 99.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.127 -0.983 . . . . 0.0 109.814 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . 0.462 HD23 HD11 ' B' ' 18' ' ' LEU . 84.4 mt -61.48 -41.03 96.64 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.037 -1.039 . . . . 0.0 109.571 179.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -64.93 -42.48 94.65 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.146 -0.971 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -64.61 -40.36 95.35 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.404 -0.81 . . . . 0.0 109.742 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.4 96.06 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.309 -0.87 . . . . 0.0 109.59 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.427 HE21 ' CD2' ' B' ' 18' ' ' LEU . 37.9 mm-40 -59.94 -49.95 75.66 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.147 -0.971 . . . . 0.0 109.654 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.05 -47.21 92.74 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.426 0 O-C-N 121.323 -0.861 . . . . 0.0 109.248 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -69.42 -39.98 77.54 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.558 -0.714 . . . . 0.0 110.597 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -59.98 -46.02 90.82 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.922 -1.111 . . . . 0.0 109.645 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.83 -40.1 95.8 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 109.453 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 39.9 mttp -65.66 -40.02 92.0 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.105 -0.997 . . . . 0.0 109.776 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -60.01 -41.35 91.94 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.041 -1.037 . . . . 0.0 109.7 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . 0.431 ' SD ' ' C ' ' B' ' 115' ' ' MET . 12.4 tmm? -70.12 -40.79 74.64 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.989 -1.069 . . . . 0.0 109.047 179.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -61.77 -44.49 96.78 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.308 -0.87 . . . . 0.0 109.293 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.27 -39.93 88.58 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.348 -0.845 . . . . 0.0 109.152 179.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 13.5 tp -60.05 -40.89 90.97 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.7 mt-30 -63.41 -39.86 95.63 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.459 -0.776 . . . . 0.0 109.642 179.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -59.46 -34.32 72.39 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.255 -0.903 . . . . 0.0 109.589 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 87.9 mt -57.51 -48.95 77.87 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.925 -1.109 . . . . 0.0 108.438 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -143.64 65.79 1.31 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.189 -0.944 . . . . 0.0 109.912 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.403 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.7 t . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.12 179.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -70.43 144.43 51.5 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.269 -0.894 . . . . 0.0 109.282 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -90.33 59.42 4.37 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.258 -0.901 . . . . 0.0 109.646 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 32.1 ttp180 -63.54 -39.89 95.58 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 121.236 -0.915 . . . . 0.0 108.736 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.5 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.9 t -60.09 -42.77 95.37 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.337 -0.852 . . . . 0.0 109.824 -179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.5 ' N ' HG23 ' C' ' 5' ' ' THR . 64.3 tp -59.99 -41.78 92.77 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 107.455 -1.313 . . . . 0.0 107.455 178.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 27.5 mt -64.44 -38.58 91.51 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.767 -0.583 . . . . 0.0 109.495 178.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.99 87.85 Favored 'General case' 0 N--CA 1.488 1.43 0 O-C-N 121.081 -1.012 . . . . 0.0 108.6 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.71 -45.28 59.34 Favored Glycine 0 N--CA 1.489 2.182 0 N-CA-C 109.128 -1.589 . . . . 0.0 109.128 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 93.3 mt -60.05 -48.41 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.309 -1.112 . . . . 0.0 109.86 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.99 -43.72 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.001 -1.062 . . . . 0.0 109.428 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -63.23 -40.05 96.36 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.242 -0.911 . . . . 0.0 109.839 179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -59.98 -40.73 90.12 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 0.0 109.103 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -61.83 -40.29 94.76 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 121.005 -1.059 . . . . 0.0 109.384 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 55.6 tt0 -60.0 -45.93 91.15 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.234 -0.916 . . . . 0.0 109.392 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -60.03 -43.36 95.37 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.253 -0.905 . . . . 0.0 109.644 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.05 -42.3 98.22 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.304 -0.872 . . . . 0.0 109.101 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.459 HD11 HD23 ' C' ' 104' ' ' LEU . 46.3 tp -60.81 -43.54 98.07 Favored 'General case' 0 C--N 1.304 -1.389 0 O-C-N 121.355 -0.841 . . . . 0.0 108.953 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -59.98 -47.77 84.45 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.235 -0.915 . . . . 0.0 109.718 -179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.46 -41.96 89.47 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.032 -1.042 . . . . 0.0 109.123 179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.97 -46.02 94.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.44 -0.787 . . . . 0.0 109.059 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -60.05 -41.65 92.79 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.462 -0.774 . . . . 0.0 109.104 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.431 HH11 ' HG2' ' C' ' 23' ' ' ARG . 53.6 mtt-85 -60.43 -40.05 89.65 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.285 -0.884 . . . . 0.0 109.512 179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -60.82 -39.9 90.71 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.112 -0.993 . . . . 0.0 109.441 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 66.7 tp60 -60.15 -46.74 88.63 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.17 -0.956 . . . . 0.0 109.101 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -66.59 -40.07 88.73 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.206 -0.934 . . . . 0.0 109.416 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.41 HD23 HD13 ' A' ' 28' ' ' LEU . 29.8 tp -63.45 -40.17 96.43 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.356 -0.84 . . . . 0.0 109.455 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 28.7 mt -60.39 -40.57 91.37 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.412 -0.805 . . . . 0.0 109.586 179.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.84 -39.98 91.11 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.122 -0.986 . . . . 0.0 109.398 -179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.549 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 97.3 mt -62.02 -40.76 96.8 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.174 -0.954 . . . . 0.0 109.752 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.0 p -67.0 -40.01 87.25 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.103 -0.998 . . . . 0.0 109.643 -179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 56.7 t -60.54 -40.03 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.411 0 O-C-N 121.334 -0.854 . . . . 0.0 109.181 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 62.9 t90 -59.97 -43.91 94.79 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.265 -0.897 . . . . 0.0 109.753 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.07 -47.68 89.86 Favored Glycine 0 N--CA 1.487 2.052 0 C-N-CA 119.343 -1.408 . . . . 0.0 109.818 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -50.01 75.43 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.995 -1.297 . . . . 0.0 110.08 -179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -62.32 -39.97 94.79 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.073 -1.017 . . . . 0.0 109.779 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.662 HD21 HH21 ' C' ' 41' ' ' ARG . 53.6 t-20 -60.01 -40.84 90.67 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.296 -0.877 . . . . 0.0 109.69 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.09 -40.02 94.44 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.049 -1.032 . . . . 0.0 109.955 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -59.99 -41.79 92.83 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.057 -1.027 . . . . 0.0 109.48 -179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 71.8 p -60.1 -40.03 88.23 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.01 -1.056 . . . . 0.0 108.837 179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.662 HH21 HD21 ' C' ' 37' ' ' ASN . 34.3 mtt-85 -67.17 -39.99 86.53 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 179.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -60.03 -42.74 90.76 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 121.28 -0.887 . . . . 0.0 109.078 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 70.7 p -60.02 -40.09 88.09 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.075 -1.016 . . . . 0.0 109.826 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.35 95.44 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.137 -0.977 . . . . 0.0 108.511 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 95.6 mt -61.09 -39.24 81.67 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.711 -0.618 . . . . 0.0 109.759 179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -60.06 -40.51 89.73 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.222 -0.924 . . . . 0.0 108.983 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -60.31 -46.66 89.08 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.427 -0.796 . . . . 0.0 109.639 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 61.0 m-85 -65.25 -38.37 90.12 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.257 -0.902 . . . . 0.0 109.701 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 48.0 mt -60.0 -40.05 87.86 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 120.936 -1.103 . . . . 0.0 108.809 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -59.99 -39.92 87.39 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.646 ' NE2' ' N ' ' C' ' 53' ' ' ALA . 0.0 OUTLIER -59.94 -40.03 87.55 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.194 -0.941 . . . . 0.0 109.065 179.768 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . 0.646 ' N ' ' NE2' ' C' ' 52' ' ' GLN . . . -59.94 -33.93 72.57 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.066 -1.021 . . . . 0.0 108.79 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . 0.435 ' O ' ' ND2' ' C' ' 56' ' ' ASN . 58.3 tt0 -59.21 -39.99 84.39 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 81.3 mt -77.19 116.75 18.09 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.56 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 38.6 m-80 -131.62 -69.93 0.6 Allowed 'General case' 0 N--CA 1.501 2.104 0 O-C-N 121.138 -0.976 . . . . 0.0 109.917 -179.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.22 87.84 1.62 Allowed 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.377 -0.827 . . . . 0.0 108.795 179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.427 ' CD1' ' N ' ' C' ' 58' ' ' TRP . 35.3 m95 -101.6 125.46 48.26 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.778 -0.576 . . . . 0.0 109.703 -179.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 112.64 -4.51 26.19 Favored Glycine 0 N--CA 1.5 2.901 0 O-C-N 121.287 -0.883 . . . . 0.0 112.436 177.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -78.73 25.49 0.26 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.051 -1.852 . . . . 0.0 108.866 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.534 ' O ' ' CE1' ' A' ' 62' ' ' PHE . . . -93.5 101.92 14.12 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.477 -0.764 . . . . 0.0 109.827 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . 0.545 ' CE1' ' O ' ' B' ' 61' ' ' ALA . 13.2 m-85 -107.12 7.33 29.56 Favored 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.954 -1.092 . . . . 0.0 109.329 179.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -158.93 24.82 0.21 Allowed 'General case' 0 C--N 1.301 -1.523 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 177.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -143.26 151.44 40.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.517 -0.739 . . . . 0.0 109.849 -178.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 13.8 t -110.94 57.7 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 177.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.51 159.95 43.91 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.755 -0.591 . . . . 0.0 109.611 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -120.88 134.01 55.3 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 179.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.512 ' O ' HG23 ' C' ' 68' ' ' THR . 8.2 t -94.98 119.87 34.23 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.213 -0.93 . . . . 0.0 110.048 -178.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.548 ' O ' HG23 ' C' ' 69' ' ' THR . 9.2 t -112.47 121.61 45.33 Favored 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.56 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 46.5 t -119.56 97.43 50.01 Favored Pre-proline 0 N--CA 1.499 1.991 0 O-C-N 121.493 -0.754 . . . . 0.0 109.5 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -81.38 66.86 8.62 Favored 'Trans proline' 0 N--CA 1.491 1.355 0 C-N-CA 122.227 1.951 . . . . 0.0 112.049 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.447 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 20.3 t90 -69.54 129.45 91.47 Favored Pre-proline 0 N--CA 1.49 1.567 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.425 ' C ' ' O ' ' C' ' 72' ' ' TRP . 66.9 Cg_exo -38.03 148.95 0.07 OUTLIER 'Trans proline' 0 N--CA 1.488 1.201 0 C-N-CA 121.494 1.463 . . . . 0.0 111.59 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.539 HD22 ' NE2' ' C' ' 52' ' ' GLN . 17.1 t-20 -128.23 -58.91 1.19 Allowed 'General case' 0 N--CA 1.5 2.071 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.2 125.39 34.6 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 179.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 16.8 p -80.44 109.97 15.44 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.841 -1.162 . . . . 0.0 108.153 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 35.2 mt -79.67 137.04 36.95 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.844 0.83 . . . . 0.0 110.044 -178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.543 HG23 ' O ' ' C' ' 78' ' ' THR . 5.2 t -87.49 114.77 60.32 Favored Pre-proline 0 C--N 1.298 -1.642 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -91.25 -47.34 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 121.722 1.615 . . . . 0.0 114.094 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -121.78 -44.36 2.32 Favored 'General case' 0 N--CA 1.504 2.269 0 O-C-N 121.308 -0.87 . . . . 0.0 113.332 -176.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.614 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.2 p90 -60.02 -49.93 75.74 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.246 -1.534 . . . . 0.0 112.473 -175.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.614 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.9 t30 -72.55 -43.41 63.51 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.224 -1.548 . . . . 0.0 110.358 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -60.0 -49.67 76.74 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.068 -1.02 . . . . 0.0 110.884 -178.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -65.04 -42.1 94.61 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.726 -1.234 . . . . 0.0 109.816 -179.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.433 HG23 ' O ' ' C' ' 81' ' ' TRP . 75.8 p -70.05 -39.99 75.38 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.319 -0.863 . . . . 0.0 109.621 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 25.4 t-105 -68.05 -39.94 82.92 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 119.043 -1.063 . . . . 0.0 109.255 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 69.7 mt-30 -59.99 -40.45 89.23 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.757 -1.214 . . . . 0.0 108.253 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.03 -40.04 94.25 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 120.953 -1.092 . . . . 0.0 108.458 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.555 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 74.6 t90 -60.02 -49.96 75.62 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.541 -0.724 . . . . 0.0 110.034 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.42 -40.82 96.5 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.084 -1.01 . . . . 0.0 109.896 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 54.1 mtt-85 -62.02 -41.99 98.69 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.016 -1.053 . . . . 0.0 110.396 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 49.7 mttp -60.09 -43.14 95.74 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.864 -1.147 . . . . 0.0 109.485 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.8 -42.12 91.15 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 O-C-N 121.446 -0.784 . . . . 0.0 109.426 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -60.34 -40.07 89.35 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.311 -0.868 . . . . 0.0 110.971 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -69.02 -39.98 78.93 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.738 -1.226 . . . . 0.0 109.449 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.9 mt -67.47 -40.12 85.29 Favored 'General case' 0 C--N 1.302 -1.478 0 O-C-N 121.193 -0.942 . . . . 0.0 110.019 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . 0.427 ' O ' HG23 ' C' ' 101' ' ' THR . 97.1 mt-10 -67.04 -39.91 87.06 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.818 -1.176 . . . . 0.0 109.864 -179.744 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -68.31 -40.08 81.82 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.211 -0.931 . . . . 0.0 109.534 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -67.87 -40.02 83.66 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.343 -0.848 . . . . 0.0 109.742 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 84.9 mt -66.16 -41.23 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.09 -1.006 . . . . 0.0 109.567 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . 0.427 HG23 ' O ' ' C' ' 97' ' ' GLU . 40.9 p -63.74 -40.64 97.22 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 120.919 -1.113 . . . . 0.0 109.369 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.61 -49.13 78.75 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.318 -0.864 . . . . 0.0 109.794 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.12 -41.74 99.39 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.179 -0.95 . . . . 0.0 109.733 -179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . 0.459 HD23 HD11 ' C' ' 18' ' ' LEU . 84.5 mt -61.3 -41.41 96.94 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.001 -1.062 . . . . 0.0 109.592 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 52.0 tp10 -64.25 -43.16 95.74 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.063 -1.023 . . . . 0.0 109.286 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -63.8 -40.94 97.84 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.409 -0.807 . . . . 0.0 109.797 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.94 -40.28 95.0 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.291 -0.881 . . . . 0.0 109.765 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . 0.416 HE21 ' CD2' ' C' ' 18' ' ' LEU . 38.2 mm-40 -60.0 -49.88 75.95 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.079 -1.013 . . . . 0.0 109.603 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 89.3 mt -60.2 -47.02 93.8 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.256 -0.902 . . . . 0.0 109.253 179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -69.54 -40.03 77.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.475 -0.765 . . . . 0.0 110.599 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 68.7 tp60 -60.01 -45.86 91.38 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.977 -1.077 . . . . 0.0 109.664 -179.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -63.99 -40.03 95.45 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.136 -0.978 . . . . 0.0 109.479 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.6 mttp -65.75 -39.95 91.6 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.129 -0.982 . . . . 0.0 109.801 179.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -60.04 -41.29 91.96 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.937 -1.102 . . . . 0.0 109.736 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . 0.436 ' SD ' ' C ' ' C' ' 115' ' ' MET . 12.4 tmm? -70.04 -40.93 74.84 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 120.937 -1.102 . . . . 0.0 109.166 179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -61.7 -44.49 96.84 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.388 -0.82 . . . . 0.0 109.182 179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -60.24 -40.07 88.96 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.355 -0.841 . . . . 0.0 109.143 179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 13.5 tp -59.99 -40.89 90.7 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.405 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.8 mt-30 -63.31 -39.84 95.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.509 -0.744 . . . . 0.0 109.669 178.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -60.09 -33.31 71.92 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.218 -0.926 . . . . 0.0 109.7 -179.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 88.3 mt -58.1 -48.88 78.84 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 120.887 -1.133 . . . . 0.0 108.451 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -143.65 65.78 1.31 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.172 -0.955 . . . . 0.0 109.879 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.405 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.7 t . . . . . 0 N--CA 1.495 1.777 0 O-C-N 121.15 -0.969 . . . . 0.0 109.124 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 121.506 0.67 . . . . 0.0 109.238 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.505 ' OE1' ' N ' ' A' ' 2' ' ' GLN . 1.0 OUTLIER -78.5 144.99 35.2 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.365 -0.834 . . . . 0.0 109.293 179.872 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.5 p -89.09 60.0 5.21 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.168 -0.957 . . . . 0.0 108.812 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.03 -39.94 94.02 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.458 -0.776 . . . . 0.0 108.985 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.404 HG22 ' H ' ' A' ' 5' ' ' THR . 0.1 OUTLIER -60.43 -42.47 96.11 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.213 -0.929 . . . . 0.0 109.12 179.781 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.9 tp -62.25 -43.02 99.79 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.131 -0.981 . . . . 0.0 108.745 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.0 mt -60.25 -39.87 88.29 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.642 -0.662 . . . . 0.0 110.196 179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.49 -40.05 85.75 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.014 -1.054 . . . . 0.0 108.556 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.36 -45.94 44.59 Favored Glycine 0 N--CA 1.487 2.074 0 N-CA-C 109.237 -1.545 . . . . 0.0 109.237 178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.04 -47.59 91.22 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 121.082 -1.246 . . . . 0.0 109.903 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.06 -41.66 87.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.124 -0.985 . . . . 0.0 108.47 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.94 -40.05 91.8 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.1 tp60 -60.22 -45.34 93.56 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.476 -0.765 . . . . 0.0 109.739 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -60.33 -41.38 93.46 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.405 -0.81 . . . . 0.0 109.303 -179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -60.02 -46.85 88.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.223 -0.923 . . . . 0.0 109.476 179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.32 -41.22 96.66 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.251 -0.906 . . . . 0.0 109.879 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -61.77 -41.48 97.76 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.09 -1.007 . . . . 0.0 108.638 179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.37 -43.15 96.83 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -60.31 -49.99 75.39 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.481 -0.762 . . . . 0.0 109.803 -179.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.31 -41.78 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.377 0 O-C-N 121.1 -1.0 . . . . 0.0 109.416 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.96 -43.85 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.168 -0.957 . . . . 0.0 109.129 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -60.71 -41.25 94.84 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.496 -0.753 . . . . 0.0 109.008 179.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.45 ' HE ' HD11 ' B' ' 103' ' ' LEU . 55.8 mtt-85 -61.32 -40.07 92.87 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.401 -0.812 . . . . 0.0 109.83 -179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.67 -39.92 90.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.949 -1.094 . . . . 0.0 109.412 179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.6 tp60 -60.2 -42.37 94.97 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.164 -0.96 . . . . 0.0 109.016 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -68.27 -40.44 81.89 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.269 -0.894 . . . . 0.0 109.068 179.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.464 HD23 HD13 ' B' ' 28' ' ' LEU . 24.9 tp -63.59 -40.56 97.25 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.527 -0.733 . . . . 0.0 109.53 179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.434 HD13 HD23 ' C' ' 27' ' ' LEU . 23.8 mt -60.13 -40.4 89.64 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.302 -0.873 . . . . 0.0 109.628 179.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.23 -40.68 94.92 Favored 'General case' 0 N--CA 1.486 1.365 0 O-C-N 121.144 -0.972 . . . . 0.0 109.667 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.573 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 88.1 mt -62.78 -39.97 95.87 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.257 -0.902 . . . . 0.0 109.276 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.7 p -66.19 -40.2 90.26 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.052 -1.03 . . . . 0.0 109.55 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.49 -40.0 82.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.19 -0.944 . . . . 0.0 109.014 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -60.24 -44.19 95.44 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.471 -0.768 . . . . 0.0 110.24 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.94 -47.37 91.32 Favored Glycine 0 N--CA 1.49 2.254 0 C-N-CA 119.558 -1.306 . . . . 0.0 109.908 -179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.26 -50.04 75.22 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.051 -1.264 . . . . 0.0 109.941 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.5 mtmt -60.31 -39.95 88.84 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.153 -0.967 . . . . 0.0 109.696 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -59.98 -40.08 87.88 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.238 -0.914 . . . . 0.0 109.093 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -59.94 -40.24 88.25 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.067 -1.021 . . . . 0.0 109.425 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -59.89 -40.25 88.12 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.315 -0.866 . . . . 0.0 109.681 -179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.0 p -60.03 -42.79 95.13 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.072 -1.017 . . . . 0.0 108.622 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.624 HH21 ' CG ' ' B' ' 82' ' ' ASN . 60.3 mtt-85 -64.31 -39.92 94.89 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.241 -0.912 . . . . 0.0 109.188 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.99 -45.29 95.54 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 C-N-CA 119.379 -0.928 . . . . 0.0 108.855 -179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.5 p -60.19 -42.2 94.54 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.898 -1.126 . . . . 0.0 109.905 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.22 -43.5 95.97 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.213 -0.929 . . . . 0.0 108.913 179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.9 mt -60.04 -39.08 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.697 -0.627 . . . . 0.0 109.456 179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -59.8 -40.57 88.77 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.113 -0.992 . . . . 0.0 109.413 -178.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.79 -41.13 99.12 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.844 -1.16 . . . . 0.0 108.926 179.213 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.549 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 51.4 m-85 -67.17 -39.56 86.48 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.523 -0.735 . . . . 0.0 109.77 179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.04 -39.98 87.81 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 120.794 -1.191 . . . . 0.0 108.726 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.84 -39.7 86.01 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 120.973 -1.079 . . . . 0.0 109.081 178.371 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.73 -39.77 85.8 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.232 -0.918 . . . . 0.0 108.876 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.5 ' NE2' HD21 ' B' ' 74' ' ' ASN . 0.9 OUTLIER -59.83 -40.0 87.02 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.005 -1.059 . . . . 0.0 109.328 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.42 85.55 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 120.672 -1.267 . . . . 0.0 108.254 179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.89 -39.85 86.73 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.334 -0.854 . . . . 0.0 108.768 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.9 mt -69.31 117.77 11.35 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.152 -0.967 . . . . 0.0 108.751 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.731 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 71.3 m-80 -134.69 -69.4 0.52 Allowed 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.257 -0.902 . . . . 0.0 110.549 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.795 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -151.27 116.82 5.4 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.202 -0.937 . . . . 0.0 109.538 -179.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.828 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 89.9 m95 -100.35 129.93 46.39 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.401 -0.812 . . . . 0.0 110.436 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.448 ' O ' ' O ' ' B' ' 60' ' ' ALA . . . 61.49 25.3 64.96 Favored Glycine 0 N--CA 1.49 2.283 0 C-N-CA 120.021 -1.085 . . . . 0.0 110.434 178.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.459 ' O ' ' O ' ' C' ' 59' ' ' GLY . . . -76.12 23.7 0.14 Allowed 'General case' 0 C--N 1.301 -1.52 0 O-C-N 120.859 -1.377 . . . . 0.0 109.492 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.439 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.71 99.84 1.27 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.986 -1.071 . . . . 0.0 110.426 179.56 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -108.46 11.79 26.64 Favored 'General case' 0 N--CA 1.504 2.245 0 O-C-N 121.195 -0.941 . . . . 0.0 109.555 178.618 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.482 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 22.4 mmm180 -133.59 23.15 3.99 Favored 'General case' 0 N--CA 1.5 2.062 0 N-CA-C 107.801 -1.185 . . . . 0.0 107.801 177.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.539 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -150.57 153.11 35.17 Favored 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 179.269 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -101.22 60.33 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.881 0 O-C-N 121.102 -0.999 . . . . 0.0 108.525 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.98 157.4 43.11 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.526 -0.734 . . . . 0.0 109.363 179.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.6 m170 -129.6 132.21 46.71 Favored 'General case' 0 N--CA 1.497 1.914 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 179.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.89 112.24 24.13 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 120.908 -1.12 . . . . 0.0 109.349 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.61 121.47 44.27 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.731 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 57.3 t -123.8 83.3 54.57 Favored Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 121.417 -0.802 . . . . 0.0 110.174 -179.105 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -86.73 62.54 4.5 Favored 'Trans proline' 0 C--N 1.311 -1.415 0 C-N-CA 122.909 2.406 . . . . 0.0 110.873 178.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.408 ' O ' ' C ' ' A' ' 73' ' ' PRO . 22.2 t90 -69.19 132.55 89.96 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.408 ' C ' ' O ' ' A' ' 72' ' ' TRP . 78.1 Cg_exo -38.59 149.04 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.313 0 C-N-CA 121.75 1.633 . . . . 0.0 110.889 179.365 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.53 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 38.1 t-20 -127.56 -53.99 1.35 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.242 -0.911 . . . . 0.0 110.175 -178.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.11 126.88 38.43 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.492 -0.755 . . . . 0.0 109.607 -179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 11.0 t -81.95 109.69 16.54 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 35.9 mt -83.75 136.23 34.24 Favored 'General case' 0 C--N 1.299 -1.606 0 CA-C-O 121.731 0.777 . . . . 0.0 110.478 -177.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.644 HG23 ' O ' ' A' ' 78' ' ' THR . 9.2 t -94.93 110.77 51.66 Favored Pre-proline 0 N--CA 1.493 1.684 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 178.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -90.58 -49.53 0.02 OUTLIER 'Trans proline' 0 N--CA 1.491 1.375 0 C-N-CA 121.787 1.658 . . . . 0.0 115.596 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -122.12 -43.05 2.34 Favored 'General case' 0 N--CA 1.507 2.41 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.645 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 2.8 p90 -59.57 -49.59 77.18 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.433 -1.417 . . . . 0.0 112.089 -175.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.645 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 63.7 t30 -71.09 -40.29 71.62 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.252 -1.53 . . . . 0.0 111.009 -179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -59.89 -50.13 74.98 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.067 -1.021 . . . . 0.0 110.657 -178.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -60.84 -47.13 87.77 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.882 -1.137 . . . . 0.0 109.325 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.7 p -68.27 -39.93 82.01 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.481 -0.762 . . . . 0.0 110.199 -179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -66.89 -40.18 87.67 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.017 -1.052 . . . . 0.0 109.098 -179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -59.89 -40.59 89.25 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 118.677 -1.209 . . . . 0.0 108.553 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.96 -40.48 93.53 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.157 -0.965 . . . . 0.0 108.864 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.545 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 65.2 t90 -60.47 -49.64 76.76 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.302 -0.874 . . . . 0.0 109.353 179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -63.12 -42.54 99.54 Favored 'General case' 0 C--N 1.305 -1.361 0 O-C-N 121.216 -0.927 . . . . 0.0 109.318 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.405 ' HG2' HH11 ' A' ' 91' ' ' ARG . 52.8 mtt-85 -62.09 -43.25 99.25 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.151 -0.968 . . . . 0.0 110.498 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -60.35 -41.8 94.41 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.974 -1.079 . . . . 0.0 109.037 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.7 t -64.77 -40.11 87.95 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.429 0 O-C-N 121.339 -0.851 . . . . 0.0 109.381 179.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -61.96 -39.98 94.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.145 -0.972 . . . . 0.0 110.745 -179.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -70.05 -40.04 75.35 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 120.729 -1.232 . . . . 0.0 109.63 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 86.7 mt -66.63 -41.07 88.91 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.103 -0.998 . . . . 0.0 109.258 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 101' ' ' THR . 86.7 tt0 -60.21 -48.57 81.16 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.273 -0.892 . . . . 0.0 109.06 179.077 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -61.34 -42.93 99.5 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.557 -0.714 . . . . 0.0 109.743 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -64.39 -40.18 95.31 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.223 -0.923 . . . . 0.0 109.867 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 83.7 mt -67.79 -40.09 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.448 0 O-C-N 121.081 -1.012 . . . . 0.0 109.709 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 97' ' ' GLU . 43.5 p -63.43 -40.32 96.86 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.941 -1.1 . . . . 0.0 109.481 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.77 -50.1 74.83 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.314 -0.866 . . . . 0.0 110.097 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.403 HD11 ' HE ' ' C' ' 23' ' ' ARG . 99.1 mt -61.44 -41.76 97.69 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.105 -0.997 . . . . 0.0 109.708 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 84.8 mt -60.69 -43.8 97.29 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.157 -0.964 . . . . 0.0 109.256 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.96 -47.79 84.37 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.183 -0.948 . . . . 0.0 109.422 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.84 -40.2 94.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.053 -1.029 . . . . 0.0 109.475 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.03 -45.58 94.21 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.3 -0.875 . . . . 0.0 109.611 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 96.1 mt-30 -60.15 -48.28 82.38 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.191 -0.943 . . . . 0.0 109.316 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.17 -48.78 86.7 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.286 -0.884 . . . . 0.0 108.682 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -67.68 -39.98 84.42 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.28 -0.888 . . . . 0.0 110.588 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -60.35 -50.01 75.33 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.991 -1.068 . . . . 0.0 109.912 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -63.05 -41.37 99.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.174 -0.954 . . . . 0.0 109.007 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 36.9 mmtm -61.54 -42.41 98.78 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.348 -0.845 . . . . 0.0 110.113 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -62.22 -40.92 97.74 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.803 -1.186 . . . . 0.0 109.216 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 28.2 ttt -69.14 -40.77 78.04 Favored 'General case' 0 C--N 1.305 -1.352 0 O-C-N 121.268 -0.895 . . . . 0.0 108.588 179.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -60.02 -47.66 84.92 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.362 -0.836 . . . . 0.0 108.768 179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.12 -40.09 92.46 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.29 -0.881 . . . . 0.0 109.098 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 57.7 tp -60.41 -41.69 94.45 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.521 -0.737 . . . . 0.0 109.732 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.3 mt-30 -60.3 -40.68 91.36 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.027 -1.046 . . . . 0.0 109.596 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -60.76 -39.81 90.14 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.117 -0.989 . . . . 0.0 109.423 179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.49 -49.37 78.04 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 107.488 -1.301 . . . . 0.0 107.488 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -116.23 59.12 0.74 Allowed 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.428 -0.795 . . . . 0.0 109.139 178.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.403 ' N ' ' O ' ' A' ' 119' ' ' GLN . 3.1 t . . . . . 0 N--CA 1.494 1.759 0 O-C-N 120.956 -1.09 . . . . 0.0 109.323 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.338 -0.615 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.498 ' N ' ' OE1' ' B' ' 2' ' ' GLN . 1.0 OUTLIER -78.81 145.0 34.54 Favored 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.481 -0.762 . . . . 0.0 109.316 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 37.8 p -88.84 59.73 5.19 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.2 -0.938 . . . . 0.0 108.972 179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -62.0 -39.95 94.0 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.32 -0.863 . . . . 0.0 109.232 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.24 -42.72 95.87 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.122 -0.986 . . . . 0.0 109.072 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 63.6 tp -62.14 -43.14 99.49 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.095 -1.003 . . . . 0.0 108.635 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 41.2 mt -60.3 -39.98 88.86 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.678 -0.638 . . . . 0.0 110.104 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.11 -40.23 84.73 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 120.995 -1.065 . . . . 0.0 108.397 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.23 -45.81 46.52 Favored Glycine 0 N--CA 1.488 2.117 0 N-CA-C 109.215 -1.554 . . . . 0.0 109.215 178.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.24 -47.89 90.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.288 -1.125 . . . . 0.0 109.935 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 53.5 t -60.16 -41.16 85.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.132 -0.98 . . . . 0.0 108.457 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -61.09 -40.03 92.18 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -60.01 -45.47 92.65 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.456 -0.778 . . . . 0.0 109.884 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -60.48 -41.65 94.67 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.443 -0.786 . . . . 0.0 109.251 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 61.4 tt0 -60.2 -46.76 88.62 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.275 -0.891 . . . . 0.0 109.205 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.72 -41.52 95.45 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.209 -0.932 . . . . 0.0 109.952 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.0 -41.37 97.97 Favored 'General case' 0 C--N 1.305 -1.363 0 O-C-N 120.973 -1.079 . . . . 0.0 108.606 179.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.3 -43.46 96.28 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.96 -50.19 74.72 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.506 -0.746 . . . . 0.0 109.812 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 83.2 t -59.99 -41.54 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.157 -0.964 . . . . 0.0 109.386 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.13 -44.01 94.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.275 -0.891 . . . . 0.0 109.13 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -60.67 -41.37 94.92 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.516 -0.74 . . . . 0.0 109.184 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.422 HH11 ' HG2' ' B' ' 23' ' ' ARG . 55.9 mtt-85 -61.19 -39.92 92.0 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.414 -0.804 . . . . 0.0 109.894 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.44 -40.18 90.21 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.036 -1.04 . . . . 0.0 109.45 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -60.37 -42.14 95.19 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.865 . . . . 0.0 109.063 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.27 -40.14 81.96 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.318 -0.864 . . . . 0.0 109.008 179.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.477 HD23 HD13 ' C' ' 28' ' ' LEU . 25.1 tp -64.2 -40.35 95.89 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.445 -0.784 . . . . 0.0 109.431 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.464 HD13 HD23 ' A' ' 27' ' ' LEU . 24.4 mt -60.2 -40.3 89.59 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.324 -0.86 . . . . 0.0 109.688 179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.52 -41.06 96.75 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.109 -0.994 . . . . 0.0 109.346 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.576 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 87.7 mt -62.23 -40.04 94.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.103 -0.998 . . . . 0.0 109.402 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 73.0 p -66.49 -40.09 89.1 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.226 -0.921 . . . . 0.0 109.467 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.51 -40.37 84.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.148 -0.97 . . . . 0.0 108.861 179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -60.01 -43.94 94.92 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.383 -0.823 . . . . 0.0 110.32 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -47.45 90.93 Favored Glycine 0 N--CA 1.487 2.059 0 N-CA-C 109.86 -1.296 . . . . 0.0 109.86 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.25 -49.97 75.52 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.148 -1.207 . . . . 0.0 109.973 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 40.8 mtmt -60.61 -39.85 89.7 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.194 -0.941 . . . . 0.0 109.522 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -59.97 -40.08 87.85 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.22 -0.925 . . . . 0.0 109.311 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -60.17 -39.96 88.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.218 -0.927 . . . . 0.0 109.343 178.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -60.0 -40.08 87.98 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.34 -0.85 . . . . 0.0 109.709 -179.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 57.2 p -60.0 -43.14 95.41 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.019 -1.051 . . . . 0.0 108.628 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.603 HH21 ' CG ' ' C' ' 82' ' ' ASN . 60.0 mtt-85 -64.21 -40.0 95.14 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.374 -0.828 . . . . 0.0 109.057 178.362 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.95 -45.32 95.37 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 C-N-CA 119.211 -0.996 . . . . 0.0 108.929 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 72.9 p -60.18 -41.9 93.89 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.034 -1.041 . . . . 0.0 109.982 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.03 98.69 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.07 -1.019 . . . . 0.0 108.874 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 83.0 mt -60.02 -39.3 79.91 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.688 -0.632 . . . . 0.0 109.457 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.64 -40.31 87.23 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.103 -0.998 . . . . 0.0 109.516 -178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.33 -40.86 98.47 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.8 -1.187 . . . . 0.0 108.553 179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.53 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 51.0 m-85 -67.12 -39.82 86.73 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.365 -0.834 . . . . 0.0 109.834 179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 42.7 mt -59.84 -39.94 86.84 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.733 -1.229 . . . . 0.0 108.762 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.93 -39.35 85.19 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.932 -1.105 . . . . 0.0 109.114 178.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -59.8 -39.77 86.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.222 -0.924 . . . . 0.0 109.108 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.506 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.8 OUTLIER -59.94 -39.93 87.23 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.975 -1.078 . . . . 0.0 109.188 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.74 86.18 Favored 'General case' 0 N--CA 1.484 1.243 0 O-C-N 120.772 -1.205 . . . . 0.0 108.247 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.76 -39.81 86.05 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.16 -0.963 . . . . 0.0 108.85 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 54.4 mt -69.42 117.85 11.55 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.017 -1.052 . . . . 0.0 108.645 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.735 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 70.5 m-80 -134.47 -69.36 0.52 Allowed 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.095 -1.003 . . . . 0.0 110.461 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.828 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -151.15 117.0 5.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.219 -0.925 . . . . 0.0 109.658 -179.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.75 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 89.8 m95 -100.54 129.92 46.54 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.404 -0.81 . . . . 0.0 110.469 -179.316 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.418 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 61.56 25.57 65.46 Favored Glycine 0 N--CA 1.489 2.229 0 C-N-CA 119.898 -1.144 . . . . 0.0 110.274 178.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 59' ' ' GLY . . . -76.6 23.63 0.16 Allowed 'General case' 0 C--N 1.301 -1.511 0 O-C-N 120.637 -1.508 . . . . 0.0 109.433 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.418 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.26 99.57 1.33 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.682 -1.261 . . . . 0.0 110.41 179.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -108.26 11.53 27.22 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 121.098 -1.001 . . . . 0.0 109.643 178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.475 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 22.6 mmm180 -133.35 23.08 4.07 Favored 'General case' 0 N--CA 1.501 2.083 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 177.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.536 HE21 ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -150.42 153.07 35.31 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.872 -1.158 . . . . 0.0 107.872 179.136 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.6 t -101.02 60.59 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 121.043 -1.036 . . . . 0.0 108.602 179.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.15 157.3 42.97 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.436 -0.79 . . . . 0.0 109.333 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -129.68 132.11 46.58 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.417 ' H ' HG22 ' B' ' 68' ' ' THR . 0.0 OUTLIER -92.92 112.31 24.22 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.927 -1.108 . . . . 0.0 109.316 -179.081 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -113.64 121.87 45.46 Favored 'General case' 0 N--CA 1.496 1.86 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.735 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 53.5 t -124.36 83.41 57.23 Favored Pre-proline 0 N--CA 1.499 1.99 0 O-C-N 121.415 -0.803 . . . . 0.0 110.153 -179.14 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -86.62 62.65 4.61 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 122.902 2.401 . . . . 0.0 110.756 178.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.413 ' O ' ' C ' ' B' ' 73' ' ' PRO . 23.0 t90 -69.3 132.51 89.76 Favored Pre-proline 0 N--CA 1.489 1.485 0 O-C-N 121.376 -0.827 . . . . 0.0 109.106 -179.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.413 ' C ' ' O ' ' B' ' 72' ' ' TRP . 83.2 Cg_exo -38.38 149.27 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 121.695 1.597 . . . . 0.0 110.858 179.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.549 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 36.7 t-20 -127.79 -54.3 1.32 Allowed 'General case' 0 N--CA 1.501 2.114 0 O-C-N 121.217 -0.927 . . . . 0.0 109.899 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.25 126.97 38.65 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 121.294 -0.879 . . . . 0.0 109.572 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 11.2 t -81.82 109.91 16.64 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 107.635 -1.246 . . . . 0.0 107.635 179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 36.1 mt -83.79 136.18 34.25 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-O 121.624 0.726 . . . . 0.0 110.54 -177.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.651 ' O ' HG23 ' B' ' 78' ' ' THR . 9.2 t -94.72 111.46 54.3 Favored Pre-proline 0 N--CA 1.493 1.687 0 N-CA-C 108.053 -1.092 . . . . 0.0 108.053 178.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_endo -91.07 -50.06 0.02 OUTLIER 'Trans proline' 0 N--CA 1.49 1.267 0 C-N-CA 121.824 1.682 . . . . 0.0 115.193 -178.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -121.55 -42.97 2.41 Favored 'General case' 0 N--CA 1.508 2.45 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 -176.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.66 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.7 p90 -59.61 -49.52 77.45 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.435 -1.416 . . . . 0.0 112.133 -175.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.66 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 63.0 t30 -71.08 -40.56 71.49 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.234 -1.541 . . . . 0.0 110.844 -179.52 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -60.15 -49.97 75.52 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.018 -1.051 . . . . 0.0 110.666 -178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -60.49 -47.15 87.39 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.835 -1.166 . . . . 0.0 109.248 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 70.5 p -68.5 -40.17 80.98 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.317 -0.865 . . . . 0.0 110.151 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -66.51 -40.14 89.06 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 120.94 -1.1 . . . . 0.0 109.319 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.1 -40.31 89.22 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 120.658 -1.276 . . . . 0.0 108.482 179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.93 -40.76 94.45 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.075 -1.015 . . . . 0.0 108.944 178.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.573 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 64.7 t90 -60.09 -49.87 75.95 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.187 -0.945 . . . . 0.0 109.225 179.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 52.2 tp10 -63.38 -42.4 98.84 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.206 -0.934 . . . . 0.0 109.231 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.416 HH11 ' HG2' ' B' ' 91' ' ' ARG . 53.3 mtt-85 -62.03 -43.53 98.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.149 -0.97 . . . . 0.0 110.305 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -60.05 -41.39 92.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.701 -1.25 . . . . 0.0 109.235 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.03 -40.14 88.01 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 O-C-N 121.294 -0.879 . . . . 0.0 109.265 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -61.76 -40.21 94.34 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.121 -0.987 . . . . 0.0 110.741 -179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -69.86 -39.95 76.04 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.814 -1.179 . . . . 0.0 109.602 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.83 -41.03 88.12 Favored 'General case' 0 C--N 1.304 -1.408 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.198 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.16 -48.63 80.92 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.294 -0.879 . . . . 0.0 108.965 179.115 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -61.38 -43.52 98.73 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.56 -0.713 . . . . 0.0 109.567 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -63.96 -40.15 95.75 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.235 -0.915 . . . . 0.0 109.955 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 82.6 mt -67.69 -40.32 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.138 -0.977 . . . . 0.0 109.594 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 41.6 p -63.46 -40.26 96.66 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 120.941 -1.1 . . . . 0.0 109.51 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.78 -49.88 75.7 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.296 -0.877 . . . . 0.0 110.098 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.45 HD11 ' HE ' ' A' ' 23' ' ' ARG . 99.2 mt -61.6 -41.77 97.91 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.138 -0.976 . . . . 0.0 109.58 -179.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.72 -43.38 97.94 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.18 -0.95 . . . . 0.0 109.166 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.08 -47.91 83.93 Favored 'General case' 0 N--CA 1.487 1.379 0 O-C-N 121.189 -0.944 . . . . 0.0 109.462 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.8 -40.4 95.17 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.171 -0.956 . . . . 0.0 109.552 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.58 -45.72 92.91 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.197 -0.939 . . . . 0.0 109.574 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.28 -48.1 83.19 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.193 -0.942 . . . . 0.0 109.391 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.08 -49.04 85.57 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 O-C-N 121.332 -0.855 . . . . 0.0 108.735 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -67.64 -40.01 84.59 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.417 -0.802 . . . . 0.0 110.568 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -60.54 -50.04 75.14 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.1 -1.0 . . . . 0.0 110.014 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -62.69 -41.75 99.27 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.161 -0.962 . . . . 0.0 109.001 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 37.3 mmtm -61.39 -42.3 98.5 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.359 -0.838 . . . . 0.0 110.083 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -62.34 -41.15 98.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.836 -1.165 . . . . 0.0 109.199 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 28.1 ttt -68.81 -40.72 79.41 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.23 -0.919 . . . . 0.0 108.703 179.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -60.19 -47.83 84.3 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.0 -39.93 91.59 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.214 -0.929 . . . . 0.0 109.134 179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.67 -41.21 94.6 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.459 -0.776 . . . . 0.0 109.881 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.6 mt-30 -60.45 -40.79 92.44 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.151 -0.968 . . . . 0.0 109.598 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -60.63 -39.63 88.93 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.206 -0.934 . . . . 0.0 109.456 179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.55 -49.51 77.49 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.57 -1.27 . . . . 0.0 107.57 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 54.9 t30 -116.13 58.99 0.74 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.652 -0.655 . . . . 0.0 109.311 178.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.411 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.8 t . . . . . 0 N--CA 1.493 1.697 0 O-C-N 120.947 -1.096 . . . . 0.0 109.439 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 108.946 -0.761 . . . . 0.0 108.946 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.494 ' OE1' ' N ' ' C' ' 2' ' ' GLN . 1.0 OUTLIER -79.28 144.99 33.77 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.31 -0.868 . . . . 0.0 109.342 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 38.7 p -89.03 59.88 5.19 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.137 -0.977 . . . . 0.0 108.908 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.67 -39.91 93.09 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.348 -0.845 . . . . 0.0 109.137 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.4 ' H ' HG22 ' C' ' 5' ' ' THR . 0.1 OUTLIER -60.3 -43.11 96.58 Favored 'General case' 0 C--N 1.304 -1.397 0 O-C-N 121.123 -0.985 . . . . 0.0 109.255 179.646 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . . . . . . . . . 63.5 tp -61.91 -43.17 99.4 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.181 -0.949 . . . . 0.0 108.54 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 39.5 mt -60.46 -39.85 89.04 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.564 -0.71 . . . . 0.0 110.167 179.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.19 -40.06 84.53 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 120.973 -1.079 . . . . 0.0 108.463 -179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.01 -45.93 47.65 Favored Glycine 0 N--CA 1.491 2.3 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.16 -48.32 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.178 -1.19 . . . . 0.0 109.785 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.15 -41.27 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -60.91 -39.95 91.28 Favored 'General case' 0 C--N 1.303 -1.45 0 O-C-N 121.453 -0.779 . . . . 0.0 108.951 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -60.3 -45.62 92.72 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.412 -0.805 . . . . 0.0 109.454 -179.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -60.28 -41.61 93.69 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.406 -0.809 . . . . 0.0 109.321 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -60.14 -46.77 88.52 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.15 -0.969 . . . . 0.0 109.333 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.74 -41.26 95.01 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.297 -0.877 . . . . 0.0 109.933 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.9 mt -62.31 -40.82 97.58 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.034 -1.041 . . . . 0.0 108.675 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.6 -43.61 97.2 Favored 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 108.506 -0.924 . . . . 0.0 108.506 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -60.07 -49.99 75.5 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.409 -0.807 . . . . 0.0 109.727 -179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 81.1 t -60.23 -40.84 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.033 -1.042 . . . . 0.0 109.558 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.68 -43.94 96.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 O-C-N 121.189 -0.944 . . . . 0.0 109.086 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -60.66 -41.37 94.86 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.408 HH11 ' HG2' ' C' ' 23' ' ' ARG . 55.0 mtt-85 -61.11 -40.13 92.6 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.43 -0.794 . . . . 0.0 109.94 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.49 -40.29 90.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.251 -0.906 . . . . 0.0 109.407 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -59.95 -42.54 94.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.341 -0.849 . . . . 0.0 108.912 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.05 -40.12 82.88 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.19 -0.944 . . . . 0.0 109.112 179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.434 HD23 HD13 ' A' ' 28' ' ' LEU . 25.1 tp -64.22 -40.3 95.77 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 121.477 -0.764 . . . . 0.0 109.508 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.477 HD13 HD23 ' B' ' 27' ' ' LEU . 23.6 mt -60.49 -40.45 91.38 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.307 -0.871 . . . . 0.0 109.467 179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.18 -40.46 94.0 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.161 -0.962 . . . . 0.0 109.52 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.545 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 88.9 mt -62.96 -40.11 96.69 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.201 -0.937 . . . . 0.0 109.081 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.0 p -65.86 -40.29 91.53 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.042 -1.036 . . . . 0.0 109.546 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.2 -40.37 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.267 -0.896 . . . . 0.0 109.074 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -60.15 -44.38 95.01 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.515 -0.741 . . . . 0.0 110.341 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.82 -46.91 93.28 Favored Glycine 0 N--CA 1.489 2.197 0 C-N-CA 119.397 -1.383 . . . . 0.0 109.945 -179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.55 -49.92 75.61 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.124 -1.221 . . . . 0.0 110.008 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -60.51 -40.07 90.08 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.115 -0.991 . . . . 0.0 109.417 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 -59.9 -40.11 87.66 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.318 -0.864 . . . . 0.0 109.315 -179.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.94 -40.03 87.55 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.165 -0.959 . . . . 0.0 109.333 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 55.8 tt0 -60.09 -40.0 88.1 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.155 -0.966 . . . . 0.0 109.49 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 57.9 p -59.84 -43.66 94.5 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.027 -1.046 . . . . 0.0 108.753 179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.625 HH21 ' CG ' ' A' ' 82' ' ' ASN . 60.8 mtt-85 -63.81 -39.95 95.47 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.331 -0.855 . . . . 0.0 109.165 178.575 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.12 -45.31 95.93 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 C-N-CA 119.319 -0.953 . . . . 0.0 108.801 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 70.0 p -60.03 -42.19 93.87 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.027 -1.045 . . . . 0.0 109.912 179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.35 -43.3 96.6 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.089 -1.007 . . . . 0.0 108.934 179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 81.2 mt -60.09 -38.9 78.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.641 -0.662 . . . . 0.0 109.469 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -59.9 -40.46 88.85 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.334 -0.854 . . . . 0.0 109.56 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.2 -41.12 99.13 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 118.832 -1.147 . . . . 0.0 108.524 179.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.53 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 51.7 m-85 -66.9 -39.9 87.57 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.548 -0.72 . . . . 0.0 109.845 179.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 40.5 mt -59.83 -40.03 87.09 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.724 -1.235 . . . . 0.0 108.578 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -59.84 -39.69 85.98 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.924 -1.11 . . . . 0.0 109.015 178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -59.65 -39.55 84.75 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.017 -1.052 . . . . 0.0 109.017 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.499 ' NE2' HD21 ' A' ' 74' ' ' ASN . 0.9 OUTLIER -60.04 -39.93 87.6 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.834 -1.166 . . . . 0.0 109.356 -179.869 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.81 -39.58 85.49 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 120.757 -1.214 . . . . 0.0 108.18 179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.81 -39.78 86.2 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.287 -0.883 . . . . 0.0 108.92 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 55.3 mt -69.71 117.7 11.64 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.114 -0.991 . . . . 0.0 108.639 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.738 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 70.3 m-80 -134.45 -69.6 0.52 Allowed 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.348 -0.845 . . . . 0.0 110.57 -179.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.75 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -151.07 116.87 5.49 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.254 -0.904 . . . . 0.0 109.429 -179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.795 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 90.5 m95 -100.56 129.85 46.55 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.458 -0.776 . . . . 0.0 110.162 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.459 ' O ' ' O ' ' A' ' 60' ' ' ALA . . . 61.76 25.24 65.4 Favored Glycine 0 N--CA 1.49 2.257 0 C-N-CA 120.11 -1.043 . . . . 0.0 110.591 178.505 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.423 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -76.56 24.01 0.15 Allowed 'General case' 0 C--N 1.303 -1.44 0 O-C-N 120.606 -1.526 . . . . 0.0 109.669 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.415 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.48 99.18 1.29 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.983 -1.073 . . . . 0.0 110.466 179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -107.97 11.59 27.73 Favored 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.185 -0.947 . . . . 0.0 109.64 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.475 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 22.5 mmm180 -133.31 23.03 4.08 Favored 'General case' 0 N--CA 1.498 1.952 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.539 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -150.48 153.02 35.13 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 179.183 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.5 t -101.01 60.48 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.996 -1.065 . . . . 0.0 108.646 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.93 157.55 43.28 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.472 -0.768 . . . . 0.0 109.418 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 19.3 m170 -129.71 132.02 46.5 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.61 112.22 24.09 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.827 -1.171 . . . . 0.0 109.385 -179.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.49 121.62 44.82 Favored 'General case' 0 N--CA 1.497 1.923 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.738 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 55.5 t -123.94 83.1 55.35 Favored Pre-proline 0 N--CA 1.499 2.006 0 O-C-N 121.341 -0.849 . . . . 0.0 110.286 -179.054 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -86.62 62.66 4.61 Favored 'Trans proline' 0 C--N 1.312 -1.378 0 C-N-CA 122.992 2.461 . . . . 0.0 110.962 178.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' C' ' 73' ' ' PRO . 23.4 t90 -69.47 132.69 89.34 Favored Pre-proline 0 N--CA 1.49 1.531 0 O-C-N 121.532 -0.73 . . . . 0.0 109.155 -179.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.401 ' C ' ' O ' ' C' ' 72' ' ' TRP . 79.0 Cg_exo -38.44 149.06 0.08 OUTLIER 'Trans proline' 0 N--CA 1.488 1.162 0 C-N-CA 121.589 1.526 . . . . 0.0 110.978 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.53 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 37.2 t-20 -127.68 -54.54 1.33 Allowed 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.271 -0.893 . . . . 0.0 110.027 -178.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.08 126.85 38.38 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.374 -0.829 . . . . 0.0 109.542 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 11.4 t -81.74 109.75 16.43 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 107.675 -1.231 . . . . 0.0 107.675 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 36.2 mt -83.59 136.3 34.29 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.759 0.79 . . . . 0.0 110.454 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.665 HG23 ' O ' ' C' ' 78' ' ' THR . 9.0 t -94.97 111.23 53.84 Favored Pre-proline 0 N--CA 1.492 1.675 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -91.15 -49.65 0.02 OUTLIER 'Trans proline' 0 N--CA 1.492 1.407 0 C-N-CA 121.821 1.681 . . . . 0.0 115.38 -178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -121.84 -42.82 2.38 Favored 'General case' 0 N--CA 1.507 2.401 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -176.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.658 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 2.9 p90 -59.9 -49.67 76.79 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.359 -1.463 . . . . 0.0 112.045 -175.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.658 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 63.3 t30 -70.89 -40.29 72.31 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.355 -1.465 . . . . 0.0 110.85 -179.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -60.01 -50.2 74.67 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.937 -1.102 . . . . 0.0 110.604 -178.574 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -60.73 -46.79 89.08 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.898 -1.126 . . . . 0.0 109.389 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 72.4 p -68.68 -40.24 80.2 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.446 -0.784 . . . . 0.0 110.168 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 38.0 t-105 -66.47 -40.01 89.12 Favored 'General case' 0 C--N 1.305 -1.356 0 C-N-CA 118.865 -1.134 . . . . 0.0 109.506 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.15 -40.34 89.52 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 118.575 -1.25 . . . . 0.0 108.586 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.87 -40.69 93.93 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.086 -1.009 . . . . 0.0 108.709 178.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.576 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 65.9 t90 -60.03 -49.87 75.95 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.182 -0.949 . . . . 0.0 109.346 179.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -63.25 -41.75 99.09 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.176 -0.953 . . . . 0.0 109.411 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' C' ' 91' ' ' ARG . 52.4 mtt-85 -62.6 -43.41 98.88 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.169 -0.957 . . . . 0.0 110.431 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -60.26 -41.22 92.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.88 -1.138 . . . . 0.0 109.203 179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.14 -40.29 88.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.443 0 O-C-N 121.368 -0.832 . . . . 0.0 109.182 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -61.86 -40.03 93.96 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.363 -0.835 . . . . 0.0 110.908 -179.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -70.0 -39.98 75.56 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.776 -1.202 . . . . 0.0 109.608 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 88.0 mt -66.86 -41.15 87.79 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.107 -0.996 . . . . 0.0 109.107 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . 0.429 ' O ' HG23 ' C' ' 101' ' ' THR . 86.6 tt0 -60.26 -48.19 82.78 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.172 -0.955 . . . . 0.0 108.948 179.149 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -61.79 -42.86 99.54 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.386 -0.821 . . . . 0.0 109.7 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 27.2 m120 -64.45 -40.38 95.61 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.31 -0.869 . . . . 0.0 109.724 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 82.8 mt -67.55 -39.94 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.233 -0.917 . . . . 0.0 109.731 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . 0.429 HG23 ' O ' ' C' ' 97' ' ' GLU . 42.2 p -63.63 -40.27 96.47 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.951 -1.093 . . . . 0.0 109.356 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.86 -49.98 75.28 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.229 -0.919 . . . . 0.0 110.016 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . 0.413 HD11 ' HE ' ' B' ' 23' ' ' ARG . 98.3 mt -61.56 -41.67 97.71 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.06 -1.025 . . . . 0.0 109.686 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.0 mt -60.96 -43.46 98.7 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.144 -0.973 . . . . 0.0 109.16 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -59.84 -47.76 84.41 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.201 -0.937 . . . . 0.0 109.651 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.03 -40.2 94.49 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.239 -0.913 . . . . 0.0 109.303 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.86 -45.74 93.36 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.223 -0.923 . . . . 0.0 109.59 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -60.18 -48.17 82.85 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.183 -0.948 . . . . 0.0 109.261 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.87 -49.31 84.39 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -67.44 -40.05 85.41 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.5 -0.75 . . . . 0.0 110.854 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 68.5 tp60 -60.33 -50.09 75.01 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.031 -1.043 . . . . 0.0 109.945 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 -62.42 -42.02 99.13 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.078 -1.014 . . . . 0.0 109.078 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 37.4 mmtm -60.86 -42.77 98.53 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.442 -0.786 . . . . 0.0 110.128 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -62.1 -41.75 98.52 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.768 -1.208 . . . . 0.0 109.22 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 28.0 ttt -68.44 -40.63 81.06 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.027 -1.046 . . . . 0.0 108.642 179.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -60.18 -47.74 84.65 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.68 -0.859 . . . . 0.0 108.68 179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.08 -40.13 92.53 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.379 -0.825 . . . . 0.0 109.185 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 57.5 tp -60.4 -41.31 93.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.517 -0.739 . . . . 0.0 109.745 -179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.407 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.4 mt-30 -60.46 -41.33 93.92 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.007 -1.058 . . . . 0.0 109.643 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -60.16 -39.57 86.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.057 -1.027 . . . . 0.0 109.505 179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.6 -49.38 78.0 Favored 'General case' 0 C--N 1.303 -1.435 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -116.02 59.03 0.73 Allowed 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.64 -0.662 . . . . 0.0 109.338 178.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.407 ' N ' ' O ' ' C' ' 119' ' ' GLN . 3.1 t . . . . . 0 N--CA 1.494 1.75 0 O-C-N 120.987 -1.071 . . . . 0.0 109.494 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.542 ' O ' ' NE2' ' B' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.488 1.441 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 84.8 mt-30 -69.53 145.04 52.94 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.286 -0.884 . . . . 0.0 109.792 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.7 m -89.17 63.19 6.49 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.347 -0.846 . . . . 0.0 109.04 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.13 -40.07 94.7 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.567 -0.708 . . . . 0.0 109.263 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.501 HG23 ' N ' ' A' ' 6' ' ' LEU . 12.9 t -60.14 -42.26 94.46 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.139 -0.976 . . . . 0.0 109.046 179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.501 ' N ' HG23 ' A' ' 5' ' ' THR . 64.4 tp -61.52 -41.35 97.19 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 179.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.9 mt -63.73 -39.15 93.59 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.499 -0.751 . . . . 0.0 109.325 179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.0 -41.35 91.88 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.062 -1.024 . . . . 0.0 108.616 -179.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.53 -46.81 73.84 Favored Glycine 0 N--CA 1.486 2.015 0 N-CA-C 108.539 -1.824 . . . . 0.0 108.539 178.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.08 -50.02 81.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.471 -1.017 . . . . 0.0 109.387 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 69.2 t -60.5 -44.45 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.165 -0.959 . . . . 0.0 108.956 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.23 -40.18 93.06 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.48 -0.763 . . . . 0.0 109.207 -179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.03 -41.87 93.14 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.392 -0.817 . . . . 0.0 109.392 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -60.17 -40.69 90.81 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.054 -1.029 . . . . 0.0 109.543 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -60.19 -43.35 95.96 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.283 -0.886 . . . . 0.0 108.613 179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -62.11 -45.9 91.44 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.246 -0.909 . . . . 0.0 109.55 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.3 mt -60.2 -43.85 95.6 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.216 -0.928 . . . . 0.0 109.055 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.89 -45.27 93.04 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.292 -0.88 . . . . 0.0 108.951 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -60.14 -47.13 87.22 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.384 -0.822 . . . . 0.0 109.722 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.08 -40.47 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 O-C-N 121.076 -1.015 . . . . 0.0 109.842 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.98 -42.36 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.07 -1.019 . . . . 0.0 108.395 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -60.45 -40.37 90.9 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.536 -0.727 . . . . 0.0 109.122 179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.581 ' NH1' HD22 ' B' ' 99' ' ' ASN . 31.1 mmt180 -60.11 -40.17 88.76 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.31 -0.869 . . . . 0.0 109.091 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -61.28 -39.97 92.41 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.22 -0.925 . . . . 0.0 109.438 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -60.13 -49.34 78.01 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.256 -0.902 . . . . 0.0 108.987 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -60.9 -44.28 97.35 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.333 -0.854 . . . . 0.0 109.36 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.8 tp -62.05 -40.46 95.83 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.563 -0.711 . . . . 0.0 109.388 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.47 -40.67 92.09 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.275 -0.891 . . . . 0.0 109.709 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -60.56 -41.06 93.82 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.097 -1.002 . . . . 0.0 109.389 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.546 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 86.3 mt -61.32 -41.24 96.69 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.568 -0.707 . . . . 0.0 109.825 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 78.3 p -65.85 -40.02 91.32 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.095 -1.003 . . . . 0.0 109.557 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.0 t -61.11 -40.46 85.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.09 -1.006 . . . . 0.0 109.204 179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -59.8 -43.8 94.27 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.291 -0.881 . . . . 0.0 109.919 -179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.47 -49.09 82.27 Favored Glycine 0 N--CA 1.488 2.144 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.51 -50.06 75.06 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.158 -1.201 . . . . 0.0 110.272 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -61.35 -40.4 94.14 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.138 -0.976 . . . . 0.0 109.769 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.504 HD21 HH21 ' A' ' 41' ' ' ARG . 41.0 t30 -59.99 -41.58 92.37 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.254 -0.904 . . . . 0.0 109.64 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -60.19 -40.06 88.7 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.151 -0.968 . . . . 0.0 109.48 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -60.16 -42.47 95.0 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.043 -1.035 . . . . 0.0 109.645 -179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 73.4 p -60.15 -40.54 90.24 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 120.97 -1.081 . . . . 0.0 108.377 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.511 ' NH2' ' CG ' ' B' ' 82' ' ' ASN . 44.1 mtt-85 -67.66 -40.03 84.53 Favored 'General case' 0 C--N 1.304 -1.373 0 C-N-CA 119.609 -0.836 . . . . 0.0 108.76 179.287 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.7 t -60.0 -41.58 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 75.9 p -60.09 -40.15 88.61 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.919 -1.113 . . . . 0.0 109.465 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.48 -42.86 97.12 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.021 -1.049 . . . . 0.0 108.487 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 85.0 mt -61.51 -37.17 77.19 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.455 0 O-C-N 121.792 -0.568 . . . . 0.0 109.555 179.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.11 -40.1 88.51 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.17 -0.956 . . . . 0.0 108.91 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -64.55 -42.57 95.63 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.282 -0.886 . . . . 0.0 109.734 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.585 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 57.1 m-85 -67.87 -39.91 83.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.206 -0.934 . . . . 0.0 110.368 -179.377 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.571 ' CD2' HE22 ' A' ' 52' ' ' GLN . 44.0 mt -60.17 -40.17 88.99 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.674 -1.266 . . . . 0.0 108.955 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -60.54 -40.08 90.24 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.643 -1.286 . . . . 0.0 108.952 178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -59.98 -39.84 87.07 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.297 -0.877 . . . . 0.0 109.817 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.571 HE22 ' CD2' ' A' ' 49' ' ' LEU . 1.6 pt20 -59.69 -38.64 82.11 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.07 -1.018 . . . . 0.0 108.837 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.85 -39.19 80.55 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 120.931 -1.105 . . . . 0.0 108.041 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.01 -39.51 86.04 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 41.8 mt -70.53 117.96 12.73 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.077 -1.014 . . . . 0.0 108.684 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -133.19 -63.05 0.78 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.336 -0.852 . . . . 0.0 110.599 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.752 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -154.57 117.83 4.5 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.152 -0.967 . . . . 0.0 109.67 -178.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.759 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 65.6 m95 -101.43 124.27 46.83 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.398 -0.814 . . . . 0.0 110.628 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.53 22.98 75.31 Favored Glycine 0 N--CA 1.493 2.469 0 O-C-N 121.101 -1.0 . . . . 0.0 110.794 178.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.58 24.24 0.21 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.752 -1.44 . . . . 0.0 110.146 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.93 110.69 2.4 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.885 -1.135 . . . . 0.0 110.398 179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.438 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 36.3 m-85 -117.45 11.95 14.04 Favored 'General case' 0 N--CA 1.502 2.155 0 O-C-N 121.335 -0.853 . . . . 0.0 109.388 178.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -137.79 23.85 2.86 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 177.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.405 ' NE2' ' CG ' ' C' ' 62' ' ' PHE . 17.4 mp0 -146.44 151.77 37.95 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 179.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 8.0 t -101.44 57.28 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 120.914 -1.116 . . . . 0.0 108.234 179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.24 158.28 42.6 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.695 -0.628 . . . . 0.0 109.757 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 21.5 m170 -128.33 133.89 48.78 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.055 -1.091 . . . . 0.0 108.055 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.589 ' O ' HG23 ' A' ' 68' ' ' THR . 9.4 t -89.45 113.2 24.52 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.5 -1.375 . . . . 0.0 109.669 -178.447 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.69 122.75 47.39 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.3 t -128.68 82.68 68.15 Favored Pre-proline 0 N--CA 1.497 1.881 0 O-C-N 121.255 -0.903 . . . . 0.0 109.536 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -87.35 60.84 3.77 Favored 'Trans proline' 0 C--N 1.312 -1.363 0 C-N-CA 122.972 2.448 . . . . 0.0 111.332 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.404 ' O ' ' C ' ' A' ' 73' ' ' PRO . 17.0 t90 -69.53 129.95 91.05 Favored Pre-proline 0 C--N 1.299 -1.605 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.404 ' C ' ' O ' ' A' ' 72' ' ' TRP . 91.0 Cg_exo -41.09 148.03 0.26 Allowed 'Trans proline' 0 N--CA 1.489 1.209 0 C-N-CA 121.235 1.29 . . . . 0.0 110.811 179.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.564 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 10.8 t-20 -125.36 -53.55 1.59 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.386 -0.822 . . . . 0.0 109.316 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.8 124.95 34.15 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.2 t -81.85 107.14 14.34 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 30.5 mt -81.72 136.47 35.46 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.835 0.826 . . . . 0.0 110.156 -178.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.4 HG23 ' O ' ' A' ' 78' ' ' THR . 2.0 t -94.03 113.04 59.59 Favored Pre-proline 0 C--N 1.298 -1.672 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 179.145 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -87.61 -47.73 0.03 OUTLIER 'Trans proline' 0 N--CA 1.488 1.203 0 C-N-CA 121.622 1.548 . . . . 0.0 114.393 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -120.94 -44.57 2.41 Favored 'General case' 0 N--CA 1.51 2.545 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 -177.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.58 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.1 p90 -59.94 -45.23 93.29 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.368 -1.458 . . . . 0.0 112.766 -175.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.58 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 64.3 t30 -75.11 -46.93 31.27 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.118 -1.614 . . . . 0.0 110.434 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -59.95 -50.25 74.5 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.322 -0.861 . . . . 0.0 110.698 -177.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.54 -45.12 95.02 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.912 -1.117 . . . . 0.0 109.264 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 46.5 p -68.28 -39.94 81.98 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.284 -0.885 . . . . 0.0 109.902 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -66.84 -39.83 87.76 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.0 -1.063 . . . . 0.0 109.255 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -59.95 -41.08 91.08 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.689 -1.257 . . . . 0.0 108.901 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.18 -39.95 96.1 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.105 -0.997 . . . . 0.0 108.756 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.526 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 72.5 t90 -60.01 -50.15 74.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.455 -0.778 . . . . 0.0 109.45 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -62.1 -42.39 99.18 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.094 -1.004 . . . . 0.0 109.605 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.476 ' HG2' HH11 ' A' ' 91' ' ' ARG . 0.9 OUTLIER -61.16 -42.21 98.16 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.349 -0.844 . . . . 0.0 110.367 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -60.16 -42.56 95.19 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.826 -1.171 . . . . 0.0 109.406 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -61.04 -41.39 89.05 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.492 0 O-C-N 121.228 -0.92 . . . . 0.0 109.085 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 59.2 t0 -59.98 -45.42 92.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.198 -0.939 . . . . 0.0 110.139 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -61.27 -42.68 99.05 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.919 -1.113 . . . . 0.0 109.544 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.1 mt -65.65 -40.36 92.38 Favored 'General case' 0 C--N 1.304 -1.389 0 C-N-CA 119.601 -0.84 . . . . 0.0 109.569 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 101' ' ' THR . 98.6 mt-10 -64.87 -40.13 94.65 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.015 -1.053 . . . . 0.0 109.683 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -69.3 -39.95 77.99 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.241 -0.912 . . . . 0.0 109.714 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.533 HD22 ' NH1' ' C' ' 23' ' ' ARG . 96.6 m-20 -67.33 -40.26 85.9 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.16 -0.962 . . . . 0.0 109.956 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 88.4 mt -65.69 -40.26 87.32 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 O-C-N 121.126 -0.984 . . . . 0.0 109.369 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 97' ' ' GLU . 24.2 p -63.07 -40.87 98.97 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.153 -0.967 . . . . 0.0 109.897 -179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.11 -43.0 96.64 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.048 -1.033 . . . . 0.0 109.861 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.97 -40.49 91.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.189 -0.944 . . . . 0.0 109.446 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 82.1 mt -64.45 -41.16 96.69 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.232 -0.917 . . . . 0.0 109.027 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.02 -50.17 74.8 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.311 -0.868 . . . . 0.0 109.57 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -62.56 -41.33 98.84 Favored 'General case' 0 N--CA 1.487 1.381 0 O-C-N 121.272 -0.892 . . . . 0.0 108.968 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.74 -48.33 82.26 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.463 -0.773 . . . . 0.0 109.802 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -60.56 -45.4 94.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.25 -0.906 . . . . 0.0 109.49 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.9 mt -60.33 -49.57 83.72 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.423 0 O-C-N 121.306 -0.871 . . . . 0.0 109.019 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 30.0 tt0 -67.77 -40.02 84.08 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.118 -0.988 . . . . 0.0 110.203 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 60.1 tp60 -59.95 -44.52 94.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.01 -1.056 . . . . 0.0 110.053 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -66.65 -39.94 88.45 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 121.159 -0.963 . . . . 0.0 109.382 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 59.7 mttm -66.37 -39.96 89.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.251 -0.906 . . . . 0.0 109.736 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -62.46 -42.36 99.42 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.226 -0.921 . . . . 0.0 109.669 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 26.2 ttt -68.66 -40.13 80.34 Favored 'General case' 0 N--CA 1.486 1.351 0 O-C-N 121.051 -1.03 . . . . 0.0 108.642 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -60.56 -48.57 81.19 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.421 -0.799 . . . . 0.0 109.384 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -60.06 -40.11 88.31 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.277 -0.889 . . . . 0.0 109.366 179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 63.4 tp -59.86 -42.32 93.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.357 -0.839 . . . . 0.0 109.606 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' SER . 97.7 mt-30 -61.74 -40.65 95.86 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.059 -1.026 . . . . 0.0 109.598 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -60.21 -39.1 85.4 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.244 -0.91 . . . . 0.0 109.402 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 88.4 mt -58.43 -48.63 80.07 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.779 -1.193 . . . . 0.0 107.779 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -121.82 59.87 0.98 Allowed 'General case' 0 N--CA 1.497 1.884 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.493 1.695 0 O-C-N 120.989 -1.07 . . . . 0.0 109.111 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.492 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 121.164 0.507 . . . . 0.0 109.688 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . 0.542 ' NE2' ' O ' ' A' ' 1' ' ' ALA . 84.0 mt-30 -69.77 144.85 52.57 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.432 -0.793 . . . . 0.0 109.676 -179.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 8.3 m -88.89 63.11 6.65 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.37 -0.831 . . . . 0.0 109.084 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -62.04 -40.03 94.36 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.565 -0.71 . . . . 0.0 109.211 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.512 HG23 ' N ' ' B' ' 6' ' ' LEU . 13.2 t -60.44 -41.95 95.1 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.196 -0.94 . . . . 0.0 108.934 179.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.512 ' N ' HG23 ' B' ' 5' ' ' THR . 63.1 tp -61.97 -40.7 96.5 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 108.263 -1.014 . . . . 0.0 108.263 179.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.19 -39.63 94.4 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.574 -0.704 . . . . 0.0 109.142 178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.76 -41.12 90.36 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.052 -1.03 . . . . 0.0 108.47 -179.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.77 -46.8 71.71 Favored Glycine 0 N--CA 1.485 1.925 0 N-CA-C 108.546 -1.821 . . . . 0.0 108.546 178.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.14 -49.98 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.394 -1.063 . . . . 0.0 109.438 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 68.5 t -60.14 -44.32 94.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.384 -0.822 . . . . 0.0 108.958 179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.6 -39.96 93.09 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.525 -0.735 . . . . 0.0 109.169 -179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.431 HE22 ' HA ' ' C' ' 107' ' ' ALA . 5.4 tp-100 -60.12 -41.96 93.72 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.338 -0.851 . . . . 0.0 109.385 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -60.1 -40.75 90.73 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.041 -1.037 . . . . 0.0 109.336 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -60.02 -43.28 95.37 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.073 -1.017 . . . . 0.0 108.896 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -62.01 -46.25 90.04 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.39 -0.819 . . . . 0.0 109.433 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 84.7 mt -60.02 -43.9 94.96 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.245 -0.909 . . . . 0.0 109.211 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -59.87 -45.43 92.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.279 -0.888 . . . . 0.0 108.994 179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -60.02 -46.98 87.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.308 -0.87 . . . . 0.0 109.695 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 79.1 t -60.05 -40.76 84.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 120.988 -1.07 . . . . 0.0 109.84 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.08 -41.81 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -60.55 -40.38 91.35 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.429 -0.794 . . . . 0.0 109.118 179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.503 ' NH1' HD22 ' C' ' 99' ' ' ASN . 31.0 mmt180 -60.38 -40.06 89.5 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.365 -0.834 . . . . 0.0 109.124 -179.743 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -61.1 -40.15 92.66 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 119.718 -0.793 . . . . 0.0 109.599 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -60.09 -49.44 77.63 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.344 -0.848 . . . . 0.0 108.993 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.55 -44.35 96.23 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.343 -0.848 . . . . 0.0 109.422 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 26.3 tp -62.05 -40.6 96.3 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.455 -0.778 . . . . 0.0 109.532 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.12 -41.01 91.71 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.364 -0.835 . . . . 0.0 109.529 179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 mtt-85 -60.61 -41.4 94.69 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.143 -0.973 . . . . 0.0 109.266 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.526 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 84.8 mt -61.06 -41.06 95.89 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.11 -0.994 . . . . 0.0 110.025 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 79.8 p -65.76 -39.89 91.51 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.128 -0.982 . . . . 0.0 109.534 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.74 -40.04 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 O-C-N 121.056 -1.028 . . . . 0.0 109.223 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 81.3 t90 -60.06 -44.1 94.95 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.421 -0.799 . . . . 0.0 109.886 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.37 -48.93 83.59 Favored Glycine 0 N--CA 1.484 1.871 0 N-CA-C 109.557 -1.417 . . . . 0.0 109.557 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.83 -49.99 75.25 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.101 -1.235 . . . . 0.0 110.132 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -61.33 -40.58 94.78 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.986 -1.071 . . . . 0.0 109.787 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.521 HD21 HH21 ' B' ' 41' ' ' ARG . 40.5 t30 -60.0 -40.77 90.35 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.238 -0.913 . . . . 0.0 109.644 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 86.4 mt -60.91 -40.0 91.51 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.215 -0.928 . . . . 0.0 109.368 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -60.24 -42.15 94.67 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.125 -0.984 . . . . 0.0 109.541 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.417 ' O ' ' OG1' ' B' ' 43' ' ' THR . 76.5 p -60.05 -40.63 90.09 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.022 -1.049 . . . . 0.0 108.581 179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.521 HH21 HD21 ' B' ' 37' ' ' ASN . 44.7 mtt-85 -67.7 -39.98 84.33 Favored 'General case' 0 C--N 1.304 -1.385 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.1 -41.45 86.54 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.31 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' B' ' 40' ' ' THR . 72.6 p -60.28 -40.04 89.01 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.883 -1.136 . . . . 0.0 109.321 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.66 -42.79 97.74 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.004 -1.06 . . . . 0.0 108.463 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.62 -36.97 76.73 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.764 -0.585 . . . . 0.0 109.647 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.99 -40.11 88.05 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.005 -1.059 . . . . 0.0 108.916 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -64.7 -42.7 95.11 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.568 -0.853 . . . . 0.0 109.887 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.57 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 59.2 m-85 -67.63 -40.02 84.64 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.286 -0.884 . . . . 0.0 110.128 -179.604 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.578 ' CD2' HE22 ' B' ' 52' ' ' GLN . 42.6 mt -60.04 -40.38 89.2 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.795 -1.191 . . . . 0.0 109.046 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -60.05 -40.25 88.77 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.77 -1.207 . . . . 0.0 109.125 178.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -59.97 -39.54 86.04 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.564 -0.71 . . . . 0.0 109.626 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.578 HE22 ' CD2' ' B' ' 49' ' ' LEU . 1.6 pt20 -59.93 -38.77 83.33 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.709 -1.244 . . . . 0.0 109.013 -179.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.403 ' N ' ' HG2' ' B' ' 52' ' ' GLN . . . -58.91 -38.9 79.99 Favored 'General case' 0 C--N 1.306 -1.288 0 O-C-N 120.807 -1.183 . . . . 0.0 107.841 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.05 -39.6 86.52 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.305 -0.872 . . . . 0.0 109.055 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 41.1 mt -70.73 117.97 12.93 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.132 -0.98 . . . . 0.0 108.626 179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -133.2 -62.7 0.79 Allowed 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.4 -0.813 . . . . 0.0 110.647 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.759 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.64 117.72 4.45 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.066 -1.021 . . . . 0.0 109.672 -178.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.768 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 65.5 m95 -101.3 123.74 45.88 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.418 -0.801 . . . . 0.0 110.666 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 69.12 23.1 76.24 Favored Glycine 0 N--CA 1.497 2.703 0 C-N-CA 120.261 -0.971 . . . . 0.0 110.824 178.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.78 24.43 0.22 Allowed 'General case' 0 C--N 1.301 -1.51 0 O-C-N 120.941 -1.329 . . . . 0.0 110.228 -179.183 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.401 ' HB1' ' OE1' ' B' ' 64' ' ' GLN . . . -157.98 109.93 2.3 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.803 -1.186 . . . . 0.0 110.461 179.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.447 ' CG ' ' NE2' ' C' ' 64' ' ' GLN . 35.0 m-85 -116.64 11.71 14.76 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.208 -0.932 . . . . 0.0 109.018 178.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 60.8 mtp180 -137.49 23.69 2.93 Favored 'General case' 0 N--CA 1.5 2.056 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 177.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.438 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 18.0 mp0 -146.58 151.94 38.13 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 t -101.04 57.3 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.075 -1.016 . . . . 0.0 108.455 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.34 158.27 42.49 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.623 -0.673 . . . . 0.0 109.666 179.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -128.33 133.71 48.75 Favored 'General case' 0 N--CA 1.498 1.931 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 178.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.578 HG23 ' O ' ' B' ' 68' ' ' THR . 9.5 t -89.37 113.24 24.52 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.653 -1.28 . . . . 0.0 109.653 -178.373 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -115.02 122.82 47.38 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 90.9 t -128.73 82.32 68.92 Favored Pre-proline 0 N--CA 1.496 1.855 0 O-C-N 121.345 -0.847 . . . . 0.0 109.706 -178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -87.08 61.43 4.05 Favored 'Trans proline' 0 C--N 1.314 -1.273 0 C-N-CA 122.993 2.462 . . . . 0.0 111.199 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.411 ' O ' ' C ' ' B' ' 73' ' ' PRO . 17.6 t90 -70.1 129.89 90.26 Favored Pre-proline 0 C--N 1.301 -1.504 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 -179.629 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.411 ' C ' ' O ' ' B' ' 72' ' ' TRP . 98.6 Cg_exo -41.21 147.91 0.29 Allowed 'Trans proline' 0 N--CA 1.487 1.1 0 C-N-CA 121.142 1.228 . . . . 0.0 110.887 179.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.585 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 10.7 t-20 -125.3 -53.16 1.61 Allowed 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.247 -0.908 . . . . 0.0 109.416 -179.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.95 125.07 34.31 Favored 'General case' 0 C--N 1.297 -1.69 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 38.8 t -81.86 107.66 14.76 Favored 'General case' 0 C--N 1.304 -1.396 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 30.7 mt -81.92 136.71 35.29 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.906 0.86 . . . . 0.0 110.185 -178.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.4 ' O ' HG23 ' B' ' 78' ' ' THR . 1.8 t -94.12 112.84 58.94 Favored Pre-proline 0 N--CA 1.492 1.641 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 179.072 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 46.0 Cg_endo -87.16 -47.66 0.04 OUTLIER 'Trans proline' 0 N--CA 1.488 1.169 0 C-N-CA 121.683 1.589 . . . . 0.0 114.475 -178.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -121.23 -44.43 2.38 Favored 'General case' 0 N--CA 1.509 2.501 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 -176.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.589 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 2.8 p90 -60.07 -45.75 91.86 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.508 -1.37 . . . . 0.0 112.709 -175.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.589 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 64.3 t30 -74.71 -46.56 36.77 Favored 'General case' 0 N--CA 1.497 1.908 0 O-C-N 120.128 -1.608 . . . . 0.0 110.583 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -60.08 -50.08 75.11 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.299 -0.876 . . . . 0.0 110.909 -178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -60.68 -45.16 95.21 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 120.789 -1.194 . . . . 0.0 109.284 179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 44.8 p -68.36 -40.07 81.6 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.213 -0.93 . . . . 0.0 109.918 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -66.27 -40.07 89.87 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.046 -1.034 . . . . 0.0 109.211 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -60.0 -41.19 91.58 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.784 -1.198 . . . . 0.0 108.72 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.33 -40.0 96.09 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.16 -0.962 . . . . 0.0 108.527 178.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.546 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 72.6 t90 -60.06 -49.91 75.81 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.399 -0.813 . . . . 0.0 109.443 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -62.49 -42.35 99.44 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.063 -1.023 . . . . 0.0 109.73 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.484 HH11 ' HG2' ' B' ' 91' ' ' ARG . 0.9 OUTLIER -60.93 -42.46 98.21 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.121 -0.987 . . . . 0.0 110.247 -179.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -59.96 -42.46 94.13 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.83 -1.169 . . . . 0.0 109.615 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.27 -41.7 90.66 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.384 -0.823 . . . . 0.0 108.941 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 58.7 t0 -60.01 -45.1 93.86 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.229 -0.919 . . . . 0.0 109.874 -179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -61.46 -42.32 98.58 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.722 -1.236 . . . . 0.0 109.642 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.28 -40.11 89.86 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.073 -1.017 . . . . 0.0 109.46 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . 0.416 ' O ' HG23 ' B' ' 101' ' ' THR . 98.8 mt-10 -64.69 -40.06 94.73 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.045 -1.035 . . . . 0.0 109.846 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -69.39 -40.1 77.58 Favored 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.055 -1.028 . . . . 0.0 109.75 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.581 HD22 ' NH1' ' A' ' 23' ' ' ARG . 96.7 m-20 -67.16 -39.95 86.58 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.203 -0.935 . . . . 0.0 110.015 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 87.9 mt -66.32 -40.2 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.25 -0.906 . . . . 0.0 109.344 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . 0.416 HG23 ' O ' ' B' ' 97' ' ' GLU . 24.3 p -62.55 -41.42 98.88 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.242 -0.911 . . . . 0.0 109.77 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.61 96.47 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.219 -0.926 . . . . 0.0 109.778 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.79 -40.61 92.13 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.125 -0.984 . . . . 0.0 109.524 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.38 -40.97 96.86 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.095 -1.003 . . . . 0.0 108.998 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.16 -49.82 76.13 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.466 -0.771 . . . . 0.0 109.388 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -63.09 -41.23 99.35 Favored 'General case' 0 C--N 1.305 -1.329 0 O-C-N 121.086 -1.008 . . . . 0.0 108.952 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.9 79.73 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.341 -0.849 . . . . 0.0 109.722 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -60.09 -45.7 92.05 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.171 -0.955 . . . . 0.0 109.599 -179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.4 mt -60.09 -49.28 84.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 O-C-N 121.219 -0.926 . . . . 0.0 109.13 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -67.94 -40.08 83.37 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.071 -1.018 . . . . 0.0 110.366 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -59.93 -44.88 94.08 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.283 -0.885 . . . . 0.0 109.937 -179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -66.01 -40.31 91.01 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.001 -1.062 . . . . 0.0 109.376 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -66.04 -40.27 90.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.108 -0.995 . . . . 0.0 109.536 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -62.48 -42.04 99.21 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.113 -0.992 . . . . 0.0 109.864 -179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 26.2 ttt -68.9 -39.94 79.45 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.129 -0.982 . . . . 0.0 108.689 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 67.3 t80 -60.34 -49.14 78.78 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.439 -0.788 . . . . 0.0 109.475 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -60.02 -40.12 88.2 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.245 -0.91 . . . . 0.0 109.103 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.01 -42.28 93.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.25 -0.906 . . . . 0.0 109.606 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' B' ' 123' ' ' SER . 97.6 mt-30 -61.76 -40.07 93.84 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.096 -1.002 . . . . 0.0 109.845 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.18 -39.64 87.21 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.149 -0.969 . . . . 0.0 109.512 179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.21 -49.2 77.88 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 107.733 -1.21 . . . . 0.0 107.733 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -121.35 59.91 0.95 Allowed 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 178.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.436 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.2 t . . . . . 0 N--CA 1.495 1.817 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.215 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . 0.523 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.488 1.468 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 85.0 mt-30 -69.28 145.01 53.43 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.037 -1.039 . . . . 0.0 109.907 -179.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 7.0 m -89.21 62.82 6.32 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.327 -0.858 . . . . 0.0 108.827 179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -62.09 -40.07 94.61 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.617 -0.677 . . . . 0.0 109.315 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.517 HG23 ' N ' ' C' ' 6' ' ' LEU . 12.8 t -60.23 -42.22 94.78 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.269 -0.894 . . . . 0.0 109.013 179.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.517 ' N ' HG23 ' C' ' 5' ' ' THR . 64.4 tp -61.71 -40.91 96.71 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.106 -0.996 . . . . 0.0 108.367 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 26.9 mt -64.01 -39.22 93.61 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.594 -0.692 . . . . 0.0 109.291 178.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -41.68 92.25 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.51 -46.63 75.62 Favored Glycine 0 N--CA 1.488 2.123 0 N-CA-C 108.797 -1.721 . . . . 0.0 108.797 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.9 mt -60.17 -50.04 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.383 -1.069 . . . . 0.0 109.409 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 69.6 t -60.17 -44.42 95.26 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.115 -0.99 . . . . 0.0 108.903 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -61.02 -40.13 92.42 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.651 -0.656 . . . . 0.0 109.329 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.18 -41.88 93.83 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.317 -0.864 . . . . 0.0 109.341 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -60.28 -40.66 91.2 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.146 -0.971 . . . . 0.0 109.465 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -60.14 -43.63 95.57 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.15 -0.969 . . . . 0.0 108.52 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -61.61 -46.08 91.35 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.254 -0.903 . . . . 0.0 109.545 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 84.4 mt -60.18 -43.77 95.61 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.305 -0.872 . . . . 0.0 109.202 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 tp -60.05 -45.09 94.0 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.395 -0.816 . . . . 0.0 108.988 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -60.42 -47.22 87.02 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.232 -0.918 . . . . 0.0 109.543 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 78.8 t -59.97 -40.34 82.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 O-C-N 121.057 -1.027 . . . . 0.0 109.766 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.17 -42.03 88.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 120.897 -1.127 . . . . 0.0 108.542 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -60.47 -40.17 90.28 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 179.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.533 ' NH1' HD22 ' A' ' 99' ' ' ASN . 31.0 mmt180 -60.27 -40.48 90.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.235 -0.916 . . . . 0.0 108.948 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.93 -40.13 92.03 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.217 -0.927 . . . . 0.0 109.575 179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -59.91 -49.61 77.0 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.13 -0.981 . . . . 0.0 109.118 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.4 -44.47 95.66 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.323 -0.86 . . . . 0.0 109.314 179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 25.6 tp -62.04 -40.97 97.55 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.38 -0.825 . . . . 0.0 109.448 179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 21.1 mt -60.01 -40.64 89.95 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.238 -0.913 . . . . 0.0 109.537 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . 0.414 HH11 ' HG2' ' C' ' 29' ' ' ARG . 54.7 mtt-85 -60.97 -40.54 93.79 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.114 -0.991 . . . . 0.0 109.541 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.526 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 86.1 mt -61.77 -40.69 96.05 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.146 -0.972 . . . . 0.0 109.864 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 72.5 p -65.9 -40.03 91.13 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.14 -0.975 . . . . 0.0 109.493 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.55 -40.08 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 O-C-N 121.153 -0.967 . . . . 0.0 109.215 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 80.8 t90 -59.93 -44.15 94.52 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.361 -0.837 . . . . 0.0 109.923 -179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.29 -49.61 76.66 Favored Glycine 0 N--CA 1.485 1.923 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -60.1 -49.83 76.09 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.173 -1.192 . . . . 0.0 110.218 -179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -61.6 -40.22 94.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.976 -1.078 . . . . 0.0 110.057 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.522 HD21 HH21 ' C' ' 41' ' ' ARG . 41.0 t30 -60.38 -40.48 91.01 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.3 -0.875 . . . . 0.0 109.715 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.15 -40.2 92.98 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.346 -0.846 . . . . 0.0 109.368 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -60.3 -42.0 94.61 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.213 -0.93 . . . . 0.0 109.585 -179.49 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 68.1 p -60.14 -40.84 91.21 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 120.943 -1.098 . . . . 0.0 108.557 179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.522 HH21 HD21 ' C' ' 37' ' ' ASN . 44.3 mtt-85 -67.47 -40.05 85.3 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.735 -0.839 . . . . 0.0 108.735 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.94 -41.58 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 C-N-CA 119.751 -0.78 . . . . 0.0 108.986 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 74.8 p -59.98 -40.85 90.53 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.118 -0.989 . . . . 0.0 109.277 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.24 -42.93 96.3 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.079 -1.013 . . . . 0.0 108.466 179.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 86.4 mt -61.62 -36.63 74.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 121.622 -0.674 . . . . 0.0 109.766 179.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.25 -40.49 90.47 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.151 -0.968 . . . . 0.0 108.657 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -64.25 -42.75 96.36 Favored 'General case' 0 C--N 1.298 -1.645 0 C-N-CA 119.402 -0.919 . . . . 0.0 110.034 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.564 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 59.0 m-85 -67.72 -39.81 84.28 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.168 -0.958 . . . . 0.0 110.31 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . 0.577 ' CD2' HE22 ' C' ' 52' ' ' GLN . 43.9 mt -60.04 -40.62 90.04 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 120.662 -1.274 . . . . 0.0 109.054 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -60.21 -39.98 88.53 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.703 -1.248 . . . . 0.0 109.035 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.26 -39.63 87.49 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.352 -0.842 . . . . 0.0 109.746 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.577 HE22 ' CD2' ' C' ' 49' ' ' LEU . 1.6 pt20 -59.8 -38.26 81.46 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 120.97 -1.081 . . . . 0.0 108.946 -179.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . 0.401 ' N ' ' HG2' ' C' ' 52' ' ' GLN . . . -59.32 -39.21 82.37 Favored 'General case' 0 N--CA 1.487 1.385 0 N-CA-C 107.794 -1.187 . . . . 0.0 107.794 179.032 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.04 -39.56 86.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.335 -0.853 . . . . 0.0 108.906 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 43.1 mt -70.82 117.95 12.98 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.131 -0.98 . . . . 0.0 108.599 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -133.17 -62.56 0.79 Allowed 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.279 -0.888 . . . . 0.0 110.528 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.768 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -154.7 117.64 4.41 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.158 -0.964 . . . . 0.0 109.98 -178.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.752 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 63.6 m95 -101.25 123.68 45.74 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.342 -0.849 . . . . 0.0 110.874 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . . . . . . . . . . . 68.92 23.31 75.93 Favored Glycine 0 N--CA 1.493 2.5 0 C-N-CA 120.079 -1.057 . . . . 0.0 110.661 178.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . . . . . . . . . . . -77.73 24.22 0.22 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.763 -1.434 . . . . 0.0 110.04 -179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . . . . . . . . . . . -157.74 110.48 2.42 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 120.836 -1.165 . . . . 0.0 110.442 179.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . 0.405 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 36.8 m-85 -117.04 11.78 14.35 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 121.335 -0.853 . . . . 0.0 109.338 177.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 60.5 mtp180 -137.8 24.05 2.85 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 177.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.447 ' NE2' ' CG ' ' B' ' 62' ' ' PHE . 18.0 mp0 -146.39 152.0 38.37 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 7.1 t -101.29 57.28 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.914 0 O-C-N 120.947 -1.095 . . . . 0.0 108.105 178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -152.27 158.29 42.6 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.627 -0.671 . . . . 0.0 109.695 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 21.4 m170 -128.52 133.84 48.52 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.597 ' O ' HG23 ' C' ' 68' ' ' THR . 9.0 t -89.47 113.18 24.51 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.634 -1.291 . . . . 0.0 109.624 -178.39 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.78 122.81 47.52 Favored 'General case' 0 N--CA 1.493 1.697 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . . . . . . . . . 94.5 t -128.81 82.91 67.72 Favored Pre-proline 0 N--CA 1.496 1.825 0 O-C-N 121.362 -0.837 . . . . 0.0 109.481 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -87.52 61.49 3.71 Favored 'Trans proline' 0 C--N 1.314 -1.286 0 C-N-CA 122.845 2.363 . . . . 0.0 111.35 179.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 17.3 t90 -69.92 129.7 90.71 Favored Pre-proline 0 C--N 1.301 -1.528 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -41.11 147.98 0.26 Allowed 'Trans proline' 0 N--CA 1.488 1.181 0 C-N-CA 121.255 1.303 . . . . 0.0 110.92 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.57 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 10.6 t-20 -125.42 -53.33 1.59 Allowed 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.259 -0.901 . . . . 0.0 109.274 -179.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -87.63 125.14 34.2 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.047 -1.033 . . . . 0.0 108.216 179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 40.7 t -82.02 107.2 14.54 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 28.4 mt -81.87 136.3 35.36 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 121.776 0.798 . . . . 0.0 110.222 -178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . . . . . . . . . 2.0 t -93.73 113.09 59.47 Favored Pre-proline 0 C--N 1.299 -1.612 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -87.61 -48.01 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.138 0 C-N-CA 121.786 1.657 . . . . 0.0 114.41 -178.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -120.7 -45.1 2.41 Favored 'General case' 0 N--CA 1.507 2.388 0 O-C-N 121.03 -1.044 . . . . 0.0 113.47 -177.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.586 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.1 p90 -59.74 -45.38 92.37 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.419 -1.426 . . . . 0.0 112.747 -175.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.586 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 64.4 t30 -74.95 -46.69 33.88 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.018 -1.677 . . . . 0.0 110.71 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -60.03 -50.44 73.72 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.212 -0.93 . . . . 0.0 110.845 -178.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.38 -44.71 95.38 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 120.877 -1.139 . . . . 0.0 109.256 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 46.6 p -68.77 -40.04 79.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.162 -0.962 . . . . 0.0 109.747 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 31.1 t-105 -66.45 -39.85 89.11 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.873 -1.142 . . . . 0.0 109.386 -179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -60.07 -40.82 90.85 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.685 -1.259 . . . . 0.0 108.847 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.2 -40.0 96.25 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.123 -0.986 . . . . 0.0 108.721 178.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.526 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 72.8 t90 -60.03 -49.84 76.08 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.422 -0.798 . . . . 0.0 109.524 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -62.37 -42.62 99.55 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.246 -0.909 . . . . 0.0 109.511 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . 0.491 HH11 ' HG2' ' C' ' 91' ' ' ARG . 1.0 OUTLIER -61.25 -42.38 98.53 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.253 -0.904 . . . . 0.0 110.174 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -60.14 -42.83 95.68 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.653 -1.279 . . . . 0.0 109.445 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.76 -41.73 89.56 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 121.165 -0.959 . . . . 0.0 109.077 179.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -59.96 -45.5 92.46 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.13 -0.981 . . . . 0.0 109.988 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -61.02 -42.43 98.45 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.867 -1.146 . . . . 0.0 109.66 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 94.3 mt -66.08 -40.2 90.66 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.194 -0.941 . . . . 0.0 109.421 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.81 -40.23 94.88 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.959 -1.088 . . . . 0.0 109.895 179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.14 -39.95 78.53 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.213 -0.929 . . . . 0.0 109.738 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . 0.503 HD22 ' NH1' ' B' ' 23' ' ' ARG . 96.8 m-20 -67.48 -40.04 85.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.05 -1.031 . . . . 0.0 109.831 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 89.6 mt -65.97 -40.03 86.24 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 O-C-N 120.986 -1.071 . . . . 0.0 109.413 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 24.2 p -62.84 -41.64 99.43 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.049 -1.032 . . . . 0.0 109.884 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.22 -43.89 96.82 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.329 -0.857 . . . . 0.0 109.533 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.43 -40.45 93.31 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.085 -1.009 . . . . 0.0 109.626 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.35 -41.26 96.84 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.296 -0.878 . . . . 0.0 108.941 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -60.21 -49.71 76.56 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.326 -0.859 . . . . 0.0 109.507 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.84 -41.58 99.39 Favored 'General case' 0 N--CA 1.486 1.343 0 O-C-N 121.134 -0.979 . . . . 0.0 108.916 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . 0.431 ' HA ' HE22 ' B' ' 13' ' ' GLN . . . -60.36 -48.7 80.63 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.43 -0.794 . . . . 0.0 109.833 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -60.22 -45.6 92.65 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.256 -0.902 . . . . 0.0 109.617 -179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.6 mt -60.11 -49.51 83.77 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.473 0 O-C-N 121.419 -0.8 . . . . 0.0 109.242 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -67.9 -39.93 83.53 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 121.461 -0.775 . . . . 0.0 110.261 -179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 60.0 tp60 -60.04 -44.97 94.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.175 -0.953 . . . . 0.0 109.973 -179.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -65.92 -39.99 91.06 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.055 -1.028 . . . . 0.0 109.397 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 59.6 mttm -66.52 -39.97 88.92 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.334 -0.854 . . . . 0.0 109.856 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -62.63 -42.04 99.37 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.318 -0.864 . . . . 0.0 109.806 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 26.3 ttt -68.79 -40.4 79.64 Favored 'General case' 0 C--N 1.305 -1.35 0 O-C-N 121.017 -1.052 . . . . 0.0 108.599 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -60.06 -48.68 80.71 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.613 -0.68 . . . . 0.0 109.574 179.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.28 -40.0 88.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.487 -0.758 . . . . 0.0 109.42 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 64.0 tp -60.09 -41.89 93.49 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.379 -0.826 . . . . 0.0 109.481 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' C' ' 123' ' ' SER . 97.4 mt-30 -62.16 -40.51 96.25 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 120.941 -1.099 . . . . 0.0 109.766 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 64.9 mmtt -60.09 -38.98 84.55 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.272 -0.893 . . . . 0.0 109.452 179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 89.6 mt -58.61 -48.78 79.81 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -121.87 60.07 0.98 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.428 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.3 t . . . . . 0 N--CA 1.496 1.86 0 O-C-N 120.989 -1.069 . . . . 0.0 109.276 179.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.333 0.587 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.59 144.43 53.03 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.429 -0.795 . . . . 0.0 109.563 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.4 p -89.32 59.47 4.87 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.27 -0.894 . . . . 0.0 109.238 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -63.48 -39.96 95.84 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.434 -0.792 . . . . 0.0 109.132 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.523 HG23 ' N ' ' A' ' 6' ' ' LEU . 14.8 t -59.95 -43.83 94.76 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.364 -0.835 . . . . 0.0 109.595 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.523 ' N ' HG23 ' A' ' 5' ' ' THR . 61.8 tp -62.6 -42.37 99.52 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.979 -1.075 . . . . 0.0 108.592 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 30.3 mt -60.76 -39.95 90.68 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.508 -0.745 . . . . 0.0 110.255 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.97 -40.05 87.76 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.06 -1.025 . . . . 0.0 108.564 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.87 -45.4 57.81 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.055 -1.618 . . . . 0.0 109.055 178.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.02 -49.61 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.283 -1.128 . . . . 0.0 109.963 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.05 -42.5 90.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 120.846 -1.159 . . . . 0.0 108.494 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -61.06 -40.01 92.02 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.375 -0.828 . . . . 0.0 109.893 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -59.98 -41.87 92.97 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.259 -0.9 . . . . 0.0 109.386 -179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.425 ' HG3' HE21 ' B' ' 14' ' ' GLN . 96.7 mt-30 -61.91 -40.62 96.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.119 -0.988 . . . . 0.0 109.066 179.531 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -60.15 -43.79 95.46 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.34 -0.85 . . . . 0.0 109.173 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 97.5 mt-30 -60.9 -42.63 98.42 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.346 -0.846 . . . . 0.0 108.942 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.5 mt -64.28 -40.9 96.91 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.351 -0.843 . . . . 0.0 109.688 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.3 -41.74 97.49 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.176 -0.953 . . . . 0.0 108.676 179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -60.04 -49.99 75.49 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.169 -0.957 . . . . 0.0 109.948 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 69.4 t -59.96 -41.18 85.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.172 -0.955 . . . . 0.0 109.948 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.02 -42.74 90.71 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.24 -0.913 . . . . 0.0 109.304 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.424 ' O ' ' OE1' ' A' ' 26' ' ' GLU . 86.5 tttt -61.76 -41.25 97.45 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.6 -0.687 . . . . 0.0 109.472 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' HE ' HD11 ' B' ' 103' ' ' LEU . 54.8 mtt-85 -61.42 -39.98 92.76 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.417 -0.802 . . . . 0.0 109.961 179.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -59.97 -39.97 87.47 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 121.117 -0.989 . . . . 0.0 108.958 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.2 tp60 -60.05 -49.7 76.61 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.063 -1.023 . . . . 0.0 109.718 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.424 ' OE1' ' O ' ' A' ' 22' ' ' LYS . 2.7 mp0 -64.37 -41.46 96.71 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.682 -1.261 . . . . 0.0 109.315 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.451 HD23 HD13 ' B' ' 28' ' ' LEU . 31.2 tp -60.47 -40.7 92.17 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 121.354 -0.841 . . . . 0.0 109.04 179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.442 HD13 HD23 ' C' ' 27' ' ' LEU . 19.4 mt -59.91 -40.37 88.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.453 -0.78 . . . . 0.0 109.271 179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -61.22 -39.99 92.31 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.165 -0.959 . . . . 0.0 109.328 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.548 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 85.4 mt -62.46 -40.63 97.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.16 -0.963 . . . . 0.0 109.403 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 74.9 p -63.85 -39.93 95.37 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.985 -1.072 . . . . 0.0 109.328 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.26 -40.08 84.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.38 -0.825 . . . . 0.0 109.474 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 70.3 t90 -59.99 -47.2 86.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.382 -0.824 . . . . 0.0 110.512 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.49 -50.25 68.72 Favored Glycine 0 N--CA 1.487 2.044 0 C-N-CA 119.37 -1.395 . . . . 0.0 110.042 -179.36 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.19 -50.02 75.31 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.954 -1.321 . . . . 0.0 109.913 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 48.9 tttp -61.16 -39.53 90.47 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.234 -0.916 . . . . 0.0 109.141 179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.612 HD21 HH22 ' A' ' 41' ' ' ARG . 58.0 t-20 -59.82 -39.68 85.9 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.9 mt -59.84 -39.9 86.72 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.005 -1.059 . . . . 0.0 108.816 179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.01 -40.02 87.81 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.955 -1.091 . . . . 0.0 109.284 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 30.7 p -59.93 -40.1 87.76 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.715 -1.241 . . . . 0.0 108.828 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.638 HH12 ' ND2' ' B' ' 82' ' ' ASN . 23.3 mtt-85 -62.6 -40.18 96.13 Favored 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 119.392 -0.923 . . . . 0.0 108.581 179.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 66.5 t -60.03 -41.82 87.58 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 O-C-N 121.608 -0.683 . . . . 0.0 109.273 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 70.6 p -59.98 -40.12 88.03 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.019 -1.05 . . . . 0.0 109.665 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.69 -40.04 84.4 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 120.35 -1.469 . . . . 0.0 108.559 179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.52 -39.99 87.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.709 -0.619 . . . . 0.0 110.284 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -39.82 87.02 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 -179.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.14 -48.62 80.97 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.595 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 51.6 m-85 -61.43 -39.94 92.62 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.393 -0.817 . . . . 0.0 109.957 179.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.5 ' C ' HD22 ' A' ' 74' ' ' ASN . 53.9 mt -60.03 -39.27 85.31 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.934 -1.104 . . . . 0.0 108.734 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.09 -39.88 87.66 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.075 -1.016 . . . . 0.0 108.551 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.96 -39.89 87.18 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.07 -1.019 . . . . 0.0 109.32 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.511 ' OE1' ' N ' ' A' ' 52' ' ' GLN . 0.9 OUTLIER -59.98 -39.58 86.2 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.952 -1.093 . . . . 0.0 109.182 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 72' ' ' TRP . . . -59.27 -37.49 77.77 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.982 -1.074 . . . . 0.0 108.733 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.98 -39.61 86.31 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.225 -0.922 . . . . 0.0 108.647 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 61.2 mt -73.57 112.56 9.77 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.012 -1.055 . . . . 0.0 109.079 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.649 HD22 ' H ' ' A' ' 70' ' ' VAL . 66.8 m-80 -134.0 -69.57 0.53 Allowed 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.465 -0.772 . . . . 0.0 109.428 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.61 88.04 1.47 Allowed 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.442 ' C ' ' H ' ' A' ' 60' ' ' ALA . 56.4 m95 -104.38 149.98 24.91 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.489 -0.757 . . . . 0.0 111.047 -178.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.506 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 53.85 8.53 0.99 Allowed Glycine 0 N--CA 1.489 2.207 0 N-CA-C 109.84 -1.304 . . . . 0.0 109.84 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.482 ' HA ' ' HB1' ' B' ' 60' ' ' ALA . . . -72.73 22.94 0.06 Allowed 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.14 -1.212 . . . . 0.0 109.071 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.524 ' HB1' ' NE2' ' A' ' 64' ' ' GLN . . . -156.46 108.01 2.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.042 -1.036 . . . . 0.0 109.672 179.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -102.34 12.49 36.53 Favored 'General case' 0 N--CA 1.499 2.008 0 O-C-N 121.265 -0.897 . . . . 0.0 110.11 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.681 ' NE ' HH21 ' C' ' 63' ' ' ARG . 30.1 mmt180 -120.24 23.73 10.79 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 177.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.524 ' NE2' ' HB1' ' A' ' 61' ' ' ALA . 0.0 OUTLIER -149.43 152.17 35.25 Favored 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 107.856 -1.164 . . . . 0.0 107.856 179.399 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.9 t -107.68 61.12 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 1.999 0 O-C-N 121.075 -1.016 . . . . 0.0 109.172 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.28 157.67 42.85 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.478 -0.764 . . . . 0.0 109.383 179.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -128.09 132.98 48.98 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 68' ' ' THR . 4.6 t -98.42 119.39 37.03 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.245 -0.909 . . . . 0.0 110.451 -178.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.9 121.24 43.34 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 108.571 -0.9 . . . . 0.0 108.571 179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.649 ' H ' HD22 ' A' ' 56' ' ' ASN . 65.3 t -126.84 83.28 65.91 Favored Pre-proline 0 N--CA 1.498 1.963 0 O-C-N 121.427 -0.796 . . . . 0.0 109.35 -179.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -79.84 65.73 8.86 Favored 'Trans proline' 0 N--CA 1.489 1.216 0 C-N-CA 122.301 2.001 . . . . 0.0 111.555 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.449 ' O ' ' HB1' ' A' ' 53' ' ' ALA . 27.4 t90 -67.74 133.94 92.38 Favored Pre-proline 0 N--CA 1.489 1.505 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_exo -38.23 149.14 0.08 OUTLIER 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.553 1.502 . . . . 0.0 111.088 179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.568 ' O ' ' CG ' ' C' ' 48' ' ' TYR . 33.9 t-20 -127.61 -60.48 1.17 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.241 -0.912 . . . . 0.0 109.424 -178.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -89.05 124.99 34.82 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.064 -1.023 . . . . 0.0 108.345 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.4 t -81.1 105.51 12.37 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.765 -1.209 . . . . 0.0 107.949 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 59.5 mt -82.18 136.57 35.1 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.477 0.656 . . . . 0.0 109.91 -178.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.676 HG23 ' O ' ' A' ' 78' ' ' THR . 10.1 t -90.02 113.86 58.72 Favored Pre-proline 0 C--N 1.301 -1.512 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -90.27 -49.43 0.02 OUTLIER 'Trans proline' 0 N--CA 1.486 1.078 0 C-N-CA 121.544 1.496 . . . . 0.0 114.487 -178.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -121.37 -44.7 2.36 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 121.235 -0.915 . . . . 0.0 113.206 -177.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.685 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.8 p90 -59.99 -53.67 55.09 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.449 -1.407 . . . . 0.0 112.407 -176.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.685 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 6.1 t-20 -79.06 -39.98 32.44 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.128 -1.608 . . . . 0.0 109.914 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -60.08 -47.32 86.39 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.253 -0.904 . . . . 0.0 109.108 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -60.21 -43.71 95.73 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.17 -0.956 . . . . 0.0 109.148 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 81' ' ' TRP . 74.6 p -69.35 -40.02 77.78 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.182 -0.949 . . . . 0.0 109.645 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.1 t-105 -61.91 -40.63 96.14 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.015 -1.053 . . . . 0.0 109.489 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.03 -41.11 91.51 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 120.917 -1.114 . . . . 0.0 108.039 179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -63.79 -40.01 95.63 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 178.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.52 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 65.4 t90 -59.94 -50.02 75.41 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.198 -0.938 . . . . 0.0 109.3 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -61.49 -41.41 97.24 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.031 -1.043 . . . . 0.0 109.269 179.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -61.78 -42.02 98.46 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.407 -0.808 . . . . 0.0 110.337 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -60.02 -42.99 95.53 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.771 -1.206 . . . . 0.0 108.814 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.9 t -62.4 -40.66 88.8 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.47 0 O-C-N 121.343 -0.848 . . . . 0.0 109.19 179.493 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -60.0 -46.48 89.33 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.251 -0.906 . . . . 0.0 110.479 -179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -66.45 -40.02 89.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.806 -1.184 . . . . 0.0 109.681 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 91.3 mt -68.32 -42.14 79.8 Favored 'General case' 0 C--N 1.304 -1.39 0 O-C-N 121.141 -0.974 . . . . 0.0 108.976 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -60.79 -45.47 94.27 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.272 -0.893 . . . . 0.0 109.369 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -64.36 -40.42 95.82 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.249 -0.907 . . . . 0.0 109.683 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.37 -41.19 96.83 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.1 -1.0 . . . . 0.0 109.444 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.45 -44.45 98.85 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.407 0 O-C-N 121.288 -0.882 . . . . 0.0 109.798 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 28.8 p -62.97 -40.16 96.88 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.148 -0.97 . . . . 0.0 109.464 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.28 -48.7 80.61 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.205 -0.934 . . . . 0.0 109.787 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.51 -41.05 98.53 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.111 -0.993 . . . . 0.0 109.729 -179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.9 -43.43 98.53 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.179 -0.951 . . . . 0.0 109.448 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.25 -46.99 87.87 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.215 -0.928 . . . . 0.0 108.624 179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -65.56 -39.94 92.27 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.382 -0.824 . . . . 0.0 108.915 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.49 -44.57 93.99 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.324 -0.86 . . . . 0.0 109.53 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -62.29 -41.53 98.58 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.017 -1.052 . . . . 0.0 109.472 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 97.3 mt -70.02 -40.35 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.067 -1.02 . . . . 0.0 109.283 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.422 ' OE1' ' OE1' ' C' ' 13' ' ' GLN . 32.1 tt0 -70.0 -39.99 75.54 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.243 -0.911 . . . . 0.0 109.599 179.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 54.9 tp60 -60.08 -49.28 78.27 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.147 -0.971 . . . . 0.0 109.076 -179.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -60.23 -43.1 96.31 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.156 -0.965 . . . . 0.0 109.381 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -60.13 -42.01 93.89 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.167 -0.958 . . . . 0.0 109.441 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.25 -40.02 95.15 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.052 -1.03 . . . . 0.0 109.029 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 27.0 ttt -68.47 -40.0 81.17 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.239 -0.913 . . . . 0.0 108.833 179.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -60.01 -44.42 94.58 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.512 -0.742 . . . . 0.0 109.751 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.56 -40.23 93.97 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.123 -0.986 . . . . 0.0 109.127 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.51 -43.3 97.2 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.542 -0.724 . . . . 0.0 109.565 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.513 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.3 mt-30 -60.19 -40.13 88.93 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.232 -0.918 . . . . 0.0 109.731 -179.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -60.91 -40.03 91.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.31 -0.869 . . . . 0.0 109.411 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 94.9 mt -59.97 -48.34 82.1 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 179.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -119.41 56.81 0.92 Allowed 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.513 ' N ' ' O ' ' A' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.764 0 CA-C-O 117.923 -1.037 . . . . 0.0 108.889 179.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -69.64 144.61 52.89 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.513 -0.742 . . . . 0.0 109.402 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 49.9 p -89.49 59.42 4.77 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.288 -0.883 . . . . 0.0 109.227 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 85.7 mtm180 -63.47 -39.99 95.93 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.444 -0.785 . . . . 0.0 109.206 179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.523 HG23 ' N ' ' B' ' 6' ' ' LEU . 14.9 t -60.0 -43.81 94.97 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.332 -0.855 . . . . 0.0 109.549 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.523 ' N ' HG23 ' B' ' 5' ' ' THR . 62.2 tp -62.51 -42.56 99.59 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.117 -0.989 . . . . 0.0 108.595 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 31.1 mt -60.59 -40.04 90.31 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.433 -0.792 . . . . 0.0 110.305 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -39.95 87.34 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.039 -1.038 . . . . 0.0 108.493 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.0 -45.32 57.47 Favored Glycine 0 N--CA 1.489 2.186 0 N-CA-C 109.039 -1.625 . . . . 0.0 109.039 179.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.02 -49.52 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.361 -1.082 . . . . 0.0 110.014 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 60.1 t -59.92 -42.7 90.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.96 -1.087 . . . . 0.0 108.541 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -61.14 -39.94 91.94 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.37 -0.831 . . . . 0.0 109.826 179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.428 ' OE1' ' OE1' ' C' ' 110' ' ' GLN . 34.7 tp60 -60.05 -42.0 93.51 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.23 -0.919 . . . . 0.0 109.347 -179.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.425 HE21 ' HG3' ' A' ' 14' ' ' GLN . 96.8 mt-30 -61.85 -40.71 96.27 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.098 -1.001 . . . . 0.0 109.124 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.1 -43.99 95.15 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.38 -0.825 . . . . 0.0 109.083 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.8 -42.49 97.72 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.223 -0.923 . . . . 0.0 108.941 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 79.9 mt -64.56 -40.25 95.23 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.297 -0.877 . . . . 0.0 109.782 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 54.2 tp -61.9 -41.11 97.52 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.089 -1.007 . . . . 0.0 108.723 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -60.4 -50.07 75.06 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.22 -0.925 . . . . 0.0 109.909 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 71.5 t -59.91 -41.07 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.222 -0.924 . . . . 0.0 109.872 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.0 -43.48 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.152 -0.968 . . . . 0.0 109.211 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . 0.43 ' O ' ' OE1' ' B' ' 26' ' ' GLU . 86.5 tttt -60.76 -41.31 95.23 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.577 -0.702 . . . . 0.0 109.701 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.405 HH11 ' HG2' ' B' ' 23' ' ' ARG . 55.3 mtt-85 -61.6 -39.93 93.0 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.408 -0.808 . . . . 0.0 109.983 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.05 -39.91 87.6 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.207 -0.933 . . . . 0.0 108.991 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -60.0 -50.02 75.38 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.17 -0.956 . . . . 0.0 109.577 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' B' ' 22' ' ' LYS . 2.6 mp0 -63.97 -41.83 97.42 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.764 -1.21 . . . . 0.0 109.342 179.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.468 HD23 HD13 ' C' ' 28' ' ' LEU . 31.9 tp -60.25 -40.46 90.37 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.353 -0.842 . . . . 0.0 109.106 179.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.451 HD13 HD23 ' A' ' 27' ' ' LEU . 19.4 mt -60.01 -40.53 89.6 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.374 -0.829 . . . . 0.0 109.4 179.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.91 -39.99 91.47 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 121.149 -0.969 . . . . 0.0 109.516 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.487 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 85.1 mt -62.4 -40.8 97.68 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.071 -1.018 . . . . 0.0 109.458 -179.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 74.1 p -63.97 -39.96 95.31 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.952 -1.092 . . . . 0.0 109.317 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.09 -40.11 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 121.367 -0.833 . . . . 0.0 109.459 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -59.93 -47.47 85.67 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.327 -0.858 . . . . 0.0 110.516 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.52 -49.98 71.49 Favored Glycine 0 N--CA 1.487 2.06 0 C-N-CA 119.364 -1.398 . . . . 0.0 110.036 -179.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.23 -50.32 74.11 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.912 -1.346 . . . . 0.0 109.859 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -60.8 -39.53 89.25 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.317 -0.864 . . . . 0.0 109.234 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.633 HD21 HH22 ' B' ' 41' ' ' ARG . 58.4 t-20 -60.0 -39.41 85.7 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 -179.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -59.96 -39.93 87.3 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.041 -1.037 . . . . 0.0 109.023 179.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.96 -39.93 87.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.129 -0.982 . . . . 0.0 109.287 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 30.9 p -60.03 -40.13 88.27 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.776 -1.202 . . . . 0.0 108.811 179.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.667 HH22 ' ND2' ' C' ' 82' ' ' ASN . 23.5 mtt-85 -62.53 -40.03 95.48 Favored 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 119.426 -0.91 . . . . 0.0 108.625 179.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 65.0 t -60.22 -41.79 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 74.4 p -60.06 -40.04 88.06 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.035 -1.041 . . . . 0.0 109.56 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.87 -39.95 83.68 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.401 -1.437 . . . . 0.0 108.525 179.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.63 -39.96 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.708 -0.62 . . . . 0.0 110.266 179.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -39.77 86.83 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.858 -1.152 . . . . 0.0 108.256 -178.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -60.01 -48.49 81.47 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.255 -0.903 . . . . 0.0 108.791 179.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.582 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 52.3 m-85 -61.55 -39.96 92.99 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.314 -0.866 . . . . 0.0 109.845 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.491 ' C ' HD22 ' B' ' 74' ' ' ASN . 52.9 mt -60.05 -39.28 85.42 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.012 -1.055 . . . . 0.0 108.862 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -60.04 -39.9 87.52 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.082 -1.011 . . . . 0.0 108.627 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.1 -39.82 87.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.056 -1.027 . . . . 0.0 109.232 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.501 ' N ' ' OE1' ' B' ' 52' ' ' GLN . 0.9 OUTLIER -60.01 -39.69 86.68 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.97 -1.081 . . . . 0.0 109.139 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' B' ' 72' ' ' TRP . . . -59.24 -37.5 77.7 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.928 -1.107 . . . . 0.0 108.695 179.406 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.96 -39.78 86.77 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.198 -0.939 . . . . 0.0 108.617 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 60.9 mt -73.31 112.63 9.56 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.021 -1.049 . . . . 0.0 109.174 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.661 HD22 ' H ' ' B' ' 70' ' ' VAL . 67.5 m-80 -134.08 -69.64 0.53 Allowed 'General case' 0 N--CA 1.501 2.111 0 O-C-N 121.369 -0.832 . . . . 0.0 109.314 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.71 88.3 1.47 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.448 ' C ' ' H ' ' B' ' 60' ' ' ALA . 56.2 m95 -104.56 150.06 24.96 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.503 -0.748 . . . . 0.0 110.945 -178.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.508 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 53.72 8.46 0.92 Allowed Glycine 0 N--CA 1.489 2.174 0 N-CA-C 109.87 -1.292 . . . . 0.0 109.87 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.488 ' HA ' ' HB1' ' C' ' 60' ' ' ALA . . . -72.37 23.16 0.05 Allowed 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.188 -1.183 . . . . 0.0 109.216 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.519 ' HB1' ' NE2' ' B' ' 64' ' ' GLN . . . -156.85 107.89 2.37 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.183 -0.948 . . . . 0.0 109.709 179.168 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -102.19 12.55 36.55 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.188 -0.945 . . . . 0.0 110.055 179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.697 HH21 ' NE ' ' C' ' 63' ' ' ARG . 30.2 mmt180 -120.3 23.63 10.81 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.519 ' NE2' ' HB1' ' B' ' 61' ' ' ALA . 0.0 OUTLIER -149.38 152.18 35.33 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 179.498 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 5.6 t -107.57 60.95 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.063 0 O-C-N 121.13 -0.981 . . . . 0.0 109.106 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.24 157.55 42.75 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.301 -0.874 . . . . 0.0 109.423 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -127.8 133.03 49.43 Favored 'General case' 0 N--CA 1.499 1.979 0 N-CA-C 108.32 -0.992 . . . . 0.0 108.32 179.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.412 HG23 ' O ' ' B' ' 68' ' ' THR . 4.7 t -98.4 119.43 37.08 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.203 -0.935 . . . . 0.0 110.426 -178.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.09 121.18 43.02 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.661 ' H ' HD22 ' B' ' 56' ' ' ASN . 67.7 t -126.88 83.09 66.48 Favored Pre-proline 0 N--CA 1.498 1.93 0 O-C-N 121.492 -0.755 . . . . 0.0 109.367 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -79.73 65.59 8.87 Favored 'Trans proline' 0 N--CA 1.489 1.221 0 C-N-CA 122.438 2.092 . . . . 0.0 111.627 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.443 ' O ' ' HB1' ' B' ' 53' ' ' ALA . 28.2 t90 -67.59 133.7 92.69 Favored Pre-proline 0 C--N 1.301 -1.507 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.42 ' C ' ' O ' ' B' ' 72' ' ' TRP . 71.3 Cg_exo -38.11 149.08 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.277 0 C-N-CA 121.604 1.536 . . . . 0.0 111.124 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.595 ' O ' ' CG ' ' A' ' 48' ' ' TYR . 33.6 t30 -127.5 -60.72 1.17 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.244 -0.91 . . . . 0.0 109.386 -178.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.9 125.23 34.85 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.025 -1.047 . . . . 0.0 108.297 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 9.8 t -81.21 105.6 12.53 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 118.665 -1.214 . . . . 0.0 107.931 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 58.7 mt -82.5 136.52 34.86 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.525 0.678 . . . . 0.0 109.854 -178.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.657 ' O ' HG23 ' B' ' 78' ' ' THR . 10.2 t -89.78 113.76 58.12 Favored Pre-proline 0 C--N 1.302 -1.496 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 179.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -90.28 -49.34 0.02 OUTLIER 'Trans proline' 0 C--N 1.318 -1.042 0 C-N-CA 121.529 1.486 . . . . 0.0 114.626 -178.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 63.6 tttm -121.4 -44.81 2.35 Favored 'General case' 0 N--CA 1.504 2.275 0 O-C-N 121.122 -0.986 . . . . 0.0 113.17 -177.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.678 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.7 p90 -59.94 -53.75 54.14 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.479 -1.388 . . . . 0.0 112.454 -176.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.678 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 6.1 t-20 -79.03 -39.84 32.95 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 119.99 -1.693 . . . . 0.0 109.899 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.0 -47.21 86.78 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.245 -0.909 . . . . 0.0 109.335 -179.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -60.36 -43.7 96.27 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.105 -0.997 . . . . 0.0 109.114 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.481 HG23 ' O ' ' B' ' 81' ' ' TRP . 76.1 p -69.4 -40.0 77.6 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.217 -0.927 . . . . 0.0 109.628 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 41.0 t-105 -62.02 -40.63 96.35 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.918 -1.114 . . . . 0.0 109.362 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -60.1 -40.98 91.53 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 118.894 -1.122 . . . . 0.0 108.19 179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -63.76 -40.02 95.68 Favored 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.548 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 65.7 t90 -59.95 -50.04 75.3 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.172 -0.955 . . . . 0.0 109.196 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.75 -41.32 97.52 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.092 -1.005 . . . . 0.0 109.138 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -61.58 -42.27 98.61 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.411 -0.805 . . . . 0.0 110.281 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -59.96 -42.7 94.68 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.772 -1.205 . . . . 0.0 108.861 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.77 -40.5 88.86 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 O-C-N 121.301 -0.874 . . . . 0.0 109.206 179.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -59.96 -46.66 88.69 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.252 -0.905 . . . . 0.0 110.412 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -66.2 -40.26 90.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.908 -1.12 . . . . 0.0 109.587 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 89.8 mt -67.96 -42.33 81.07 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.087 -1.008 . . . . 0.0 108.974 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -60.72 -45.91 92.43 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.219 -0.925 . . . . 0.0 109.3 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -63.85 -40.76 97.33 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.168 -0.957 . . . . 0.0 109.744 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -64.17 -41.12 97.25 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.084 -1.01 . . . . 0.0 109.466 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 91.5 mt -63.49 -44.58 98.84 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 121.239 -0.913 . . . . 0.0 109.734 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 29.6 p -62.8 -40.49 97.52 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.043 -1.035 . . . . 0.0 109.462 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.95 -48.62 80.94 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.128 -0.983 . . . . 0.0 109.889 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . 0.418 HD11 ' HE ' ' A' ' 23' ' ' ARG . 96.1 mt -63.54 -41.14 98.47 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.019 -1.051 . . . . 0.0 109.649 -179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 83.4 mt -60.85 -43.92 97.69 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.079 -1.013 . . . . 0.0 109.284 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -59.97 -46.55 89.07 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.009 -1.057 . . . . 0.0 108.75 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.66 -40.0 91.98 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.404 -0.81 . . . . 0.0 109.002 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.42 -44.69 93.85 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.36 -0.838 . . . . 0.0 109.51 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.22 -41.62 98.56 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.063 -1.023 . . . . 0.0 109.561 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.0 -40.53 78.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.025 -1.047 . . . . 0.0 109.235 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -69.67 -40.0 76.69 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.385 -0.822 . . . . 0.0 109.508 179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -59.96 -49.76 76.42 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.129 -0.982 . . . . 0.0 109.085 -179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -59.91 -43.23 94.99 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.119 -0.988 . . . . 0.0 109.515 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -60.06 -41.59 92.71 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.248 -0.908 . . . . 0.0 109.528 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.7 -40.0 94.62 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.203 -0.936 . . . . 0.0 108.884 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 26.9 ttt -68.43 -39.97 81.35 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.32 -0.862 . . . . 0.0 108.768 179.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 59.7 t80 -60.06 -44.31 94.79 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.366 -0.834 . . . . 0.0 109.848 179.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -61.67 -40.22 94.2 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.074 -1.016 . . . . 0.0 109.074 -179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.54 -43.1 97.58 Favored 'General case' 0 C--N 1.303 -1.413 0 O-C-N 121.361 -0.837 . . . . 0.0 109.467 179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.502 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.4 mt-30 -60.51 -40.07 90.08 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.236 -0.915 . . . . 0.0 109.723 -179.314 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -60.65 -40.04 90.55 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.284 -0.885 . . . . 0.0 109.333 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.94 -48.49 81.5 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.903 -1.147 . . . . 0.0 107.903 179.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -119.41 56.91 0.91 Allowed 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.502 ' N ' ' O ' ' B' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.778 0 O-C-N 121.034 -1.041 . . . . 0.0 108.787 179.444 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -69.77 144.62 52.64 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.35 -0.844 . . . . 0.0 109.397 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 51.3 p -89.48 59.52 4.81 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.332 -0.855 . . . . 0.0 109.343 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -63.64 -39.99 95.75 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.418 -0.801 . . . . 0.0 109.113 179.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.512 HG23 ' N ' ' C' ' 6' ' ' LEU . 14.9 t -60.03 -43.47 95.28 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.379 -0.825 . . . . 0.0 109.595 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.512 ' N ' HG23 ' C' ' 5' ' ' THR . 61.6 tp -62.88 -41.99 99.61 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.064 -1.022 . . . . 0.0 108.676 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.6 mt -61.09 -39.96 91.9 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.481 -0.762 . . . . 0.0 110.163 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.1 87.79 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 120.96 -1.088 . . . . 0.0 108.622 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -69.58 -45.61 58.57 Favored Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.5 mt -60.06 -49.39 84.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.36 -1.082 . . . . 0.0 109.952 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -60.0 -42.74 90.68 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 120.837 -1.164 . . . . 0.0 108.58 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -61.16 -39.9 91.86 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.482 -0.761 . . . . 0.0 109.908 179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . 0.422 ' OE1' ' OE1' ' A' ' 110' ' ' GLN . 34.6 tp60 -60.0 -42.0 93.3 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.341 -0.849 . . . . 0.0 109.397 -179.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . 0.424 HE21 ' HG3' ' B' ' 14' ' ' GLN . 96.8 mt-30 -61.77 -40.89 96.76 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 121.099 -1.001 . . . . 0.0 109.193 179.542 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 -60.09 -43.61 95.4 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.405 -0.809 . . . . 0.0 109.141 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -60.92 -42.33 97.89 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.189 -0.944 . . . . 0.0 109.043 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 79.8 mt -64.84 -40.25 94.86 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.296 -0.878 . . . . 0.0 109.654 179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.8 -41.7 98.08 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 120.908 -1.12 . . . . 0.0 108.61 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -60.05 -50.03 75.31 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.282 -0.886 . . . . 0.0 109.974 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 69.7 t -59.99 -41.03 84.76 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 O-C-N 121.187 -0.946 . . . . 0.0 109.785 -179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 54.6 t -59.98 -43.61 92.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 121.296 -0.878 . . . . 0.0 109.266 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.428 ' O ' ' OE1' ' C' ' 26' ' ' GLU . 86.6 tttt -60.61 -41.81 95.54 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.533 -0.729 . . . . 0.0 109.608 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.413 HH11 ' HG2' ' C' ' 23' ' ' ARG . 55.5 mtt-85 -61.06 -40.03 92.12 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.324 -0.86 . . . . 0.0 109.921 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -59.95 -40.07 87.72 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.185 -0.947 . . . . 0.0 108.967 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -59.94 -50.06 75.25 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.121 -0.987 . . . . 0.0 109.713 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' C' ' 22' ' ' LYS . 2.8 mp0 -63.91 -41.5 97.66 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.744 -1.222 . . . . 0.0 109.439 179.55 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . 0.442 HD23 HD13 ' A' ' 28' ' ' LEU . 31.0 tp -60.67 -40.14 91.01 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.365 -0.835 . . . . 0.0 109.048 179.511 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . 0.468 HD13 HD23 ' B' ' 27' ' ' LEU . 19.3 mt -60.25 -40.61 90.9 Favored 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.392 -0.818 . . . . 0.0 109.326 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -60.93 -39.94 91.35 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.28 -0.887 . . . . 0.0 109.431 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.52 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 84.9 mt -62.66 -40.45 97.08 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.269 -0.894 . . . . 0.0 109.507 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 75.0 p -64.01 -39.98 95.31 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.104 -0.997 . . . . 0.0 109.213 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 54.5 t -61.11 -40.1 84.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 121.334 -0.854 . . . . 0.0 109.414 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -59.99 -47.5 85.58 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.381 -0.824 . . . . 0.0 110.514 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -58.22 -50.38 66.92 Favored Glycine 0 N--CA 1.486 2.029 0 C-N-CA 119.369 -1.396 . . . . 0.0 110.082 -179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.1 m -60.17 -50.0 75.41 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.074 -1.25 . . . . 0.0 109.917 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 49.0 tttp -61.08 -39.61 90.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.365 -0.835 . . . . 0.0 109.061 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.641 HD21 HH22 ' C' ' 41' ' ' ARG . 58.0 t-20 -59.9 -39.69 86.23 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 -179.317 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 89.0 mt -59.89 -39.82 86.61 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.095 -1.003 . . . . 0.0 108.936 179.383 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.03 -39.95 87.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.011 -1.056 . . . . 0.0 109.159 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 31.0 p -59.94 -40.3 88.49 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 120.808 -1.182 . . . . 0.0 108.99 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.648 HH12 ' ND2' ' A' ' 82' ' ' ASN . 23.5 mtt-85 -62.35 -40.01 94.97 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.147 -0.971 . . . . 0.0 108.53 179.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 64.0 t -60.23 -41.59 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.654 -0.654 . . . . 0.0 109.337 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 72.2 p -60.24 -39.91 88.4 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.068 -1.02 . . . . 0.0 109.654 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.95 -40.02 83.3 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.468 -1.395 . . . . 0.0 108.338 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 87.8 mt -64.53 -39.95 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.684 -0.635 . . . . 0.0 110.332 179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -39.78 87.18 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.964 -1.085 . . . . 0.0 108.217 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.96 -48.41 81.83 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.195 -0.94 . . . . 0.0 108.775 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.568 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 51.6 m-85 -61.71 -39.98 93.41 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.36 -0.837 . . . . 0.0 109.838 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . 0.5 ' C ' HD22 ' C' ' 74' ' ' ASN . 53.4 mt -60.01 -39.21 85.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.955 -1.09 . . . . 0.0 108.809 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -60.04 -39.96 87.75 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.102 -0.998 . . . . 0.0 108.522 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.05 -39.89 87.57 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.163 -0.96 . . . . 0.0 109.206 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.503 ' OE1' ' N ' ' C' ' 52' ' ' GLN . 0.9 OUTLIER -60.03 -39.5 86.11 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.012 -1.055 . . . . 0.0 109.13 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' C' ' 72' ' ' TRP . . . -59.32 -37.4 77.69 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.833 -1.167 . . . . 0.0 108.736 179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -59.98 -39.62 86.31 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.303 -0.873 . . . . 0.0 108.76 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 62.3 mt -73.51 112.68 9.81 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.032 -1.043 . . . . 0.0 108.989 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.67 HD22 ' H ' ' C' ' 70' ' ' VAL . 67.4 m-80 -134.18 -69.74 0.52 Allowed 'General case' 0 N--CA 1.501 2.095 0 O-C-N 121.259 -0.901 . . . . 0.0 109.18 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.58 88.14 1.47 Allowed 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.44 ' C ' ' N ' ' C' ' 60' ' ' ALA . 57.4 m95 -104.24 149.82 24.96 Favored 'General case' 0 N--CA 1.5 2.052 0 O-C-N 121.472 -0.768 . . . . 0.0 111.019 -178.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.516 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 53.98 8.46 1.03 Allowed Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.721 -1.352 . . . . 0.0 109.721 178.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.488 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -72.61 22.64 0.06 Allowed 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.263 -1.14 . . . . 0.0 109.15 -179.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.516 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -156.19 108.15 2.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.094 -1.004 . . . . 0.0 109.71 179.148 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -102.35 12.54 36.44 Favored 'General case' 0 N--CA 1.502 2.145 0 O-C-N 121.271 -0.893 . . . . 0.0 110.232 179.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.697 ' NE ' HH21 ' B' ' 63' ' ' ARG . 30.3 mmt180 -120.29 23.65 10.81 Favored 'General case' 0 N--CA 1.5 2.032 0 N-CA-C 107.091 -1.448 . . . . 0.0 107.091 177.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.503 HE21 ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -149.38 152.18 35.34 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 107.875 -1.157 . . . . 0.0 107.875 179.483 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 5.7 t -107.51 61.03 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 121.104 -0.997 . . . . 0.0 109.152 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.15 157.75 43.1 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.411 -0.805 . . . . 0.0 109.402 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -128.05 133.03 49.04 Favored 'General case' 0 N--CA 1.497 1.913 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 179.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.414 HG23 ' O ' ' C' ' 68' ' ' THR . 4.6 t -98.43 119.45 37.15 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.237 -0.914 . . . . 0.0 110.355 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -114.13 121.06 42.62 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.67 ' H ' HD22 ' C' ' 56' ' ' ASN . 67.7 t -126.81 83.05 66.36 Favored Pre-proline 0 N--CA 1.499 1.992 0 O-C-N 121.378 -0.826 . . . . 0.0 109.384 -179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.61 65.59 8.86 Favored 'Trans proline' 0 N--CA 1.489 1.262 0 C-N-CA 122.43 2.087 . . . . 0.0 111.655 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.444 ' O ' ' HB1' ' C' ' 53' ' ' ALA . 27.3 t90 -67.59 133.8 92.69 Favored Pre-proline 0 C--N 1.301 -1.541 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.429 ' C ' ' O ' ' C' ' 72' ' ' TRP . 70.7 Cg_exo -38.15 149.27 0.07 OUTLIER 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 121.462 1.441 . . . . 0.0 111.116 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.582 ' O ' ' CG ' ' B' ' 48' ' ' TYR . 34.1 t30 -127.51 -60.83 1.16 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.274 -0.891 . . . . 0.0 109.476 -178.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -88.89 125.29 34.87 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 10.0 t -81.39 105.58 12.68 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 118.81 -1.156 . . . . 0.0 108.016 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 58.5 mt -82.22 136.48 35.08 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.599 0.714 . . . . 0.0 109.864 -178.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.655 HG23 ' O ' ' C' ' 78' ' ' THR . 10.2 t -89.98 114.11 59.61 Favored Pre-proline 0 C--N 1.301 -1.506 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 179.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -90.36 -49.37 0.02 OUTLIER 'Trans proline' 0 N--CA 1.487 1.106 0 C-N-CA 121.781 1.654 . . . . 0.0 114.642 -179.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -121.66 -44.65 2.33 Favored 'General case' 0 N--CA 1.506 2.364 0 O-C-N 121.353 -0.842 . . . . 0.0 113.158 -176.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.685 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.7 p90 -59.91 -54.14 49.6 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.472 -1.392 . . . . 0.0 112.347 -176.123 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.685 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 6.1 t-20 -78.8 -39.94 34.36 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.022 -1.674 . . . . 0.0 109.939 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -60.04 -47.21 86.78 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.235 -0.916 . . . . 0.0 109.234 -179.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -60.5 -43.61 96.85 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.032 -1.043 . . . . 0.0 109.078 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.477 HG23 ' O ' ' C' ' 81' ' ' TRP . 77.0 p -69.3 -40.07 77.9 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.148 -0.97 . . . . 0.0 109.59 179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 40.8 t-105 -61.99 -40.89 97.18 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.051 -1.031 . . . . 0.0 109.474 -179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -60.0 -40.94 90.91 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 107.937 -1.135 . . . . 0.0 107.937 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -63.64 -39.99 95.74 Favored 'General case' 0 C--N 1.303 -1.417 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.487 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 65.9 t90 -60.04 -50.01 75.41 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.246 -0.909 . . . . 0.0 109.288 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -61.71 -41.19 97.28 Favored 'General case' 0 C--N 1.302 -1.468 0 O-C-N 120.916 -1.115 . . . . 0.0 109.364 179.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -61.84 -41.94 98.42 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.581 -0.699 . . . . 0.0 110.283 -179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -60.06 -43.17 95.6 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.717 -1.239 . . . . 0.0 108.768 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 58.0 t -62.28 -40.51 88.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.389 -0.819 . . . . 0.0 109.27 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -60.02 -46.94 87.85 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.21 -0.931 . . . . 0.0 110.363 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -66.05 -40.18 90.74 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.852 -1.155 . . . . 0.0 109.674 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 92.0 mt -68.18 -42.24 80.27 Favored 'General case' 0 C--N 1.303 -1.456 0 C-N-CA 119.349 -0.94 . . . . 0.0 108.906 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -60.79 -45.79 93.01 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.231 -0.918 . . . . 0.0 109.399 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.6 tt0 -64.0 -40.67 96.88 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.225 -0.922 . . . . 0.0 109.702 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -63.94 -41.45 97.6 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.174 -0.953 . . . . 0.0 109.465 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 90.6 mt -63.39 -44.38 98.93 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.399 0 O-C-N 121.323 -0.861 . . . . 0.0 109.804 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 27.2 p -63.11 -40.25 97.07 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.003 -1.06 . . . . 0.0 109.413 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -48.89 79.84 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.244 -0.91 . . . . 0.0 109.752 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.31 -41.23 98.91 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.051 -1.03 . . . . 0.0 109.693 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.82 -43.91 97.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.082 -1.011 . . . . 0.0 109.372 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.98 -46.82 88.21 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.04 -1.038 . . . . 0.0 108.676 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -65.59 -39.96 92.18 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 121.317 -0.865 . . . . 0.0 109.03 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.24 -44.77 94.28 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.258 -0.901 . . . . 0.0 109.559 179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.12 -41.62 98.42 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 120.996 -1.065 . . . . 0.0 109.624 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 97.2 mt -70.02 -40.32 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.259 -0.901 . . . . 0.0 109.367 179.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . 0.428 ' OE1' ' OE1' ' B' ' 13' ' ' GLN . 32.3 tt0 -69.9 -39.98 75.9 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.364 -0.835 . . . . 0.0 109.558 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -60.14 -49.38 77.86 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.238 -0.914 . . . . 0.0 109.066 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -60.18 -43.39 95.9 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.128 -0.983 . . . . 0.0 109.321 179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -59.96 -41.69 92.46 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.228 -0.92 . . . . 0.0 109.474 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -64.51 -40.12 95.05 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.034 -1.041 . . . . 0.0 108.91 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 27.0 ttt -68.45 -39.97 81.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.301 -0.875 . . . . 0.0 108.737 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -59.98 -44.58 94.4 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.342 -0.849 . . . . 0.0 109.711 179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -61.32 -40.2 93.35 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.087 -1.008 . . . . 0.0 109.17 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 59.7 tp -60.67 -42.91 98.03 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.333 -0.855 . . . . 0.0 109.618 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.4 mt-30 -60.55 -40.69 92.51 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.304 -0.873 . . . . 0.0 109.54 -179.525 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 19.2 mmmt -60.02 -40.02 87.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.25 -0.906 . . . . 0.0 109.695 179.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.98 -48.4 81.86 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -119.53 57.03 0.92 Allowed 'General case' 0 N--CA 1.494 1.772 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.51 ' N ' ' O ' ' C' ' 119' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.774 0 O-C-N 121.031 -1.043 . . . . 0.0 108.888 179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.192 0.52 . . . . 0.0 109.696 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' C' ' 1' ' ' ALA . 96.5 mt-30 -73.77 144.44 45.63 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.151 -0.968 . . . . 0.0 109.312 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -90.03 59.41 4.51 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.175 -0.953 . . . . 0.0 109.518 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -64.83 -39.91 94.33 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.331 -0.856 . . . . 0.0 109.31 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.503 HG23 ' N ' ' A' ' 6' ' ' LEU . 9.4 t -60.06 -41.21 91.87 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.257 -0.902 . . . . 0.0 109.288 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.503 ' N ' HG23 ' A' ' 5' ' ' THR . 60.5 tp -60.85 -42.68 98.29 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.194 -0.941 . . . . 0.0 108.598 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.4 mt -60.12 -40.01 88.26 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.324 -0.86 . . . . 0.0 109.336 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.85 90.43 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.224 -0.922 . . . . 0.0 108.525 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.0 -48.59 69.32 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 108.781 -1.728 . . . . 0.0 108.781 178.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.99 -48.74 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.446 -1.032 . . . . 0.0 109.879 179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 53.6 t -59.98 -46.44 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.169 -0.957 . . . . 0.0 109.285 -179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.29 -39.89 88.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.139 -0.976 . . . . 0.0 109.532 179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -60.02 -41.77 92.92 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.102 -0.999 . . . . 0.0 109.389 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -60.44 -40.09 89.84 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.936 -1.102 . . . . 0.0 109.153 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -60.0 -46.3 89.93 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.243 -0.911 . . . . 0.0 109.248 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.1 -44.24 94.99 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.095 -1.003 . . . . 0.0 109.427 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 86.5 mt -61.55 -41.86 97.99 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.215 -0.928 . . . . 0.0 109.603 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.7 tp -59.98 -46.0 90.88 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.302 -0.873 . . . . 0.0 109.126 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -59.93 -48.79 80.25 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.269 -0.895 . . . . 0.0 109.739 -179.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 68.7 t -59.99 -41.71 87.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.081 -1.012 . . . . 0.0 109.087 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.99 -49.83 82.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.164 -0.96 . . . . 0.0 108.713 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.62 -40.38 94.61 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.259 -0.9 . . . . 0.0 108.782 178.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.548 ' NE ' ' OD1' ' B' ' 99' ' ' ASN . 34.4 ttm-85 -60.04 -40.0 87.84 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 109.352 -0.61 . . . . 0.0 109.352 179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 -59.94 -39.12 84.46 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.22 -0.925 . . . . 0.0 108.695 179.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.02 -47.38 86.09 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.088 -1.008 . . . . 0.0 109.182 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -62.02 -41.3 97.94 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.595 -1.315 . . . . 0.0 109.311 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 22.9 tp -60.27 -41.03 92.43 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.158 -0.964 . . . . 0.0 109.192 179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 17.2 mt -59.96 -39.94 87.33 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.519 -0.738 . . . . 0.0 109.208 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.465 HH11 ' HG2' ' A' ' 29' ' ' ARG . 39.2 mtt-85 -60.1 -40.03 88.21 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 121.022 -1.049 . . . . 0.0 108.909 -179.366 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.454 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 91.8 mt -60.72 -41.85 96.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.047 -1.033 . . . . 0.0 109.523 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 76.0 p -62.82 -39.92 95.8 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.919 -1.113 . . . . 0.0 109.268 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.23 -40.06 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 87.0 t90 -60.04 -42.85 95.33 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.37 -0.831 . . . . 0.0 110.47 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -47.58 90.34 Favored Glycine 0 N--CA 1.487 2.04 0 C-N-CA 119.545 -1.312 . . . . 0.0 109.845 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.3 m -60.07 -50.0 75.43 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.108 -1.231 . . . . 0.0 109.885 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -60.54 -40.0 89.94 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.05 -1.031 . . . . 0.0 110.103 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.794 HD21 HH21 ' A' ' 41' ' ' ARG . 41.0 t30 -60.01 -40.21 88.47 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.106 -0.996 . . . . 0.0 109.577 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.421 ' O ' HG23 ' A' ' 42' ' ' VAL . 88.0 mt -61.29 -40.14 93.03 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.13 -0.981 . . . . 0.0 109.877 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -59.99 -41.87 92.99 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.061 -1.024 . . . . 0.0 109.551 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.2 p -60.61 -40.09 90.56 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.062 -1.024 . . . . 0.0 108.92 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.794 HH21 HD21 ' A' ' 37' ' ' ASN . 26.5 mtt-85 -69.12 -40.01 78.57 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 179.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 38' ' ' LEU . 53.0 t -59.96 -41.0 84.58 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.414 -0.804 . . . . 0.0 109.042 179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 44.1 p -59.95 -40.05 87.66 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.053 -1.029 . . . . 0.0 109.396 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.29 -43.1 96.58 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.114 -0.991 . . . . 0.0 108.79 179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 82.1 mt -60.89 -37.86 77.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.53 0 O-C-N 121.555 -0.716 . . . . 0.0 109.422 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.87 -40.16 87.7 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.08 -1.013 . . . . 0.0 108.461 -179.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.67 -46.32 90.78 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.445 -0.784 . . . . 0.0 109.164 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CD1' ' O ' ' B' ' 74' ' ' ASN . 38.1 m-85 -59.97 -40.04 87.69 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.493 -0.754 . . . . 0.0 110.065 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.04 -39.81 87.21 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.99 -1.069 . . . . 0.0 108.999 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -59.91 -39.9 87.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.982 -1.074 . . . . 0.0 108.688 179.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 66.1 t0 -60.0 -38.63 83.19 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.628 ' NE2' HD21 ' B' ' 74' ' ' ASN . 0.0 OUTLIER -59.9 -40.01 87.31 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.234 -0.916 . . . . 0.0 108.912 179.826 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.02 78.65 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 120.861 -1.149 . . . . 0.0 108.353 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.451 -0.78 . . . . 0.0 109.578 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 78.0 mt -70.66 117.52 12.29 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.122 -0.986 . . . . 0.0 108.767 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.563 ' CG ' ' H ' ' A' ' 70' ' ' VAL . 24.7 m120 -133.13 -60.61 0.85 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.311 -0.868 . . . . 0.0 110.768 -179.278 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.69 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -153.52 116.14 4.45 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.105 -0.997 . . . . 0.0 110.382 -178.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.686 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 92.1 m95 -101.62 124.35 47.12 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.523 -0.736 . . . . 0.0 110.351 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.437 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 67.16 24.22 73.29 Favored Glycine 0 N--CA 1.492 2.414 0 C-N-CA 120.072 -1.061 . . . . 0.0 110.949 178.498 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.497 ' HA ' ' HB1' ' B' ' 60' ' ' ALA . . . -76.36 22.7 0.16 Allowed 'General case' 0 N--CA 1.488 1.471 0 O-C-N 120.715 -1.462 . . . . 0.0 109.447 -179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.57 112.0 1.89 Allowed 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.178 -0.952 . . . . 0.0 109.75 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -108.64 12.95 25.52 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.343 -0.848 . . . . 0.0 109.932 178.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.471 ' C ' ' NE2' ' A' ' 64' ' ' GLN . 69.3 mtm180 -135.74 24.35 3.38 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.221 -0.925 . . . . 0.0 108.631 177.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.544 ' NE2' ' N ' ' A' ' 64' ' ' GLN . 0.0 OUTLIER -148.26 151.88 36.19 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 179.348 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -102.85 59.06 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.124 -0.985 . . . . 0.0 108.413 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.54 157.37 42.93 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.423 -0.798 . . . . 0.0 109.528 179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -129.47 134.0 47.58 Favored 'General case' 0 N--CA 1.497 1.903 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.522 ' O ' HG23 ' A' ' 68' ' ' THR . 6.1 t -88.69 115.01 25.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 120.723 -1.236 . . . . 0.0 109.37 -178.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.562 ' O ' HG23 ' A' ' 69' ' ' THR . 8.8 t -110.9 120.61 42.95 Favored 'General case' 0 N--CA 1.493 1.686 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.563 ' H ' ' CG ' ' A' ' 56' ' ' ASN . 89.4 t -122.93 83.35 50.25 Favored Pre-proline 0 N--CA 1.495 1.779 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -86.39 61.71 4.71 Favored 'Trans proline' 0 C--N 1.313 -1.318 0 C-N-CA 122.786 2.324 . . . . 0.0 111.642 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.403 ' O ' ' C ' ' A' ' 73' ' ' PRO . 27.3 t90 -70.05 130.76 89.48 Favored Pre-proline 0 N--CA 1.488 1.464 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.403 ' C ' ' O ' ' A' ' 72' ' ' TRP . 91.4 Cg_exo -40.61 148.5 0.19 Allowed 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 121.32 1.347 . . . . 0.0 110.765 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.634 HD21 ' NE2' ' C' ' 52' ' ' GLN . 1.9 t-20 -131.21 -38.65 1.2 Allowed 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.205 -0.934 . . . . 0.0 109.225 -178.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.32 124.88 39.58 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 179.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.3 t -83.94 105.31 14.72 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 39.8 mt -83.2 134.75 34.95 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-O 121.651 0.738 . . . . 0.0 109.963 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 78' ' ' THR . 6.5 t -94.84 113.03 60.29 Favored Pre-proline 0 N--CA 1.492 1.669 0 O-C-N 121.592 -0.692 . . . . 0.0 109.625 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_endo -89.29 -48.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.219 0 C-N-CA 121.712 1.608 . . . . 0.0 113.584 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 45.9 mtmt -122.29 -44.01 2.28 Favored 'General case' 0 N--CA 1.504 2.253 0 N-CA-C 113.461 0.911 . . . . 0.0 113.461 -177.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.645 ' CD1' ' N ' ' A' ' 82' ' ' ASN . 3.0 p90 -59.47 -49.88 76.09 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.411 -1.431 . . . . 0.0 112.911 -175.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.645 ' N ' ' CD1' ' A' ' 81' ' ' TRP . 45.4 t30 -71.78 -42.72 66.79 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 119.867 -1.771 . . . . 0.0 109.943 -179.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -60.03 -49.93 75.72 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.204 -0.935 . . . . 0.0 110.547 -179.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.58 -43.12 99.45 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.81 -1.181 . . . . 0.0 109.936 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 81' ' ' TRP . 76.8 p -69.71 -40.05 76.52 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.213 -0.929 . . . . 0.0 109.277 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 46.3 t-105 -68.0 -38.84 83.12 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.155 -0.966 . . . . 0.0 108.979 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -60.04 -39.98 87.81 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.237 -0.914 . . . . 0.0 108.694 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.77 -40.05 96.09 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 120.887 -1.133 . . . . 0.0 109.123 179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.464 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 62.4 t90 -60.0 -49.97 75.59 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.203 -0.936 . . . . 0.0 111.045 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -67.23 -39.83 86.28 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.505 -1.372 . . . . 0.0 109.201 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -60.01 -41.19 91.59 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.233 -0.917 . . . . 0.0 110.059 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 39.0 mmtm -60.06 -44.84 94.44 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.703 -1.248 . . . . 0.0 108.322 179.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.52 -40.1 83.33 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 O-C-N 121.29 -0.881 . . . . 0.0 109.071 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -60.03 -42.74 95.04 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.419 -0.8 . . . . 0.0 110.394 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.8 m-85 -69.7 -40.0 76.57 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 120.858 -1.151 . . . . 0.0 109.095 -179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 68.6 mt -67.0 -40.03 87.23 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.186 -0.946 . . . . 0.0 108.877 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.42 ' OE2' ' NH2' ' A' ' 29' ' ' ARG . 88.9 tt0 -59.97 -46.54 89.1 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.343 -0.848 . . . . 0.0 109.49 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -60.04 -44.49 94.62 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.114 -0.991 . . . . 0.0 109.314 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.542 ' OD1' ' NE ' ' C' ' 23' ' ' ARG . 14.5 t-20 -62.26 -42.28 99.19 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.196 -0.94 . . . . 0.0 109.62 -179.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 92.1 mt -60.08 -46.68 94.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.026 -1.046 . . . . 0.0 109.034 179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 69.8 p -61.36 -39.96 92.52 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.165 -0.959 . . . . 0.0 109.621 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.02 -46.57 89.07 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.156 -0.965 . . . . 0.0 109.579 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 86.2 mt -67.44 -39.97 85.41 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 120.983 -1.073 . . . . 0.0 108.903 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 85.2 mt -64.55 -43.47 93.85 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.139 -0.976 . . . . 0.0 109.32 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.2 -43.49 95.89 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.243 -0.911 . . . . 0.0 109.269 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -68.77 -39.99 79.96 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.188 -0.945 . . . . 0.0 108.78 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.15 -44.45 97.31 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 121.422 -0.799 . . . . 0.0 109.599 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -60.03 -48.83 80.09 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.074 -1.016 . . . . 0.0 109.042 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.01 -50.04 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.365 0 O-C-N 121.311 -0.868 . . . . 0.0 109.447 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -64.68 -40.93 96.25 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.046 -1.034 . . . . 0.0 109.7 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -60.01 -49.4 77.83 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.196 -0.94 . . . . 0.0 109.838 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -62.72 -41.99 99.43 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.194 -0.942 . . . . 0.0 110.034 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -63.13 -39.99 96.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.066 -1.021 . . . . 0.0 109.894 -179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -63.76 -42.34 97.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 120.986 -1.071 . . . . 0.0 109.479 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 26.9 ttt -69.79 -40.06 76.21 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.102 -0.998 . . . . 0.0 108.684 179.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 58.8 t80 -60.04 -49.78 76.33 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.543 -0.723 . . . . 0.0 109.217 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.97 -40.01 87.6 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.303 -0.873 . . . . 0.0 109.382 179.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.0 -41.51 92.27 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.243 -0.911 . . . . 0.0 109.273 -179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.537 ' O ' ' N ' ' A' ' 123' ' ' SER . 27.6 mt-30 -60.78 -40.01 91.0 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.185 -0.947 . . . . 0.0 109.691 179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -59.98 -39.16 84.73 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.15 -0.969 . . . . 0.0 109.271 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.97 -46.82 88.2 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.629 -1.248 . . . . 0.0 107.629 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -126.44 61.55 1.3 Allowed 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.618 -0.676 . . . . 0.0 109.435 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.494 1.772 0 O-C-N 121.064 -1.022 . . . . 0.0 109.22 179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . 0.41 ' O ' ' NE2' ' C' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.196 0.522 . . . . 0.0 109.629 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -73.89 144.35 45.41 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.207 -0.933 . . . . 0.0 109.382 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -90.0 59.35 4.5 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.167 -0.958 . . . . 0.0 109.408 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 87.0 mtm180 -64.62 -40.07 94.82 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.399 -0.813 . . . . 0.0 109.395 179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.49 HG23 ' N ' ' B' ' 6' ' ' LEU . 9.2 t -59.96 -40.95 90.81 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.23 -0.919 . . . . 0.0 109.437 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.49 ' N ' HG23 ' B' ' 5' ' ' THR . 61.3 tp -61.22 -42.43 98.58 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.249 -0.907 . . . . 0.0 108.7 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.08 -40.07 88.3 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.409 -0.807 . . . . 0.0 109.235 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.9 -40.78 89.94 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.145 -0.972 . . . . 0.0 108.597 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.2 -48.58 68.53 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 108.695 -1.762 . . . . 0.0 108.695 178.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.07 -48.6 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.4 -1.059 . . . . 0.0 109.887 179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.99 -46.42 94.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.659 0 O-C-N 121.175 -0.953 . . . . 0.0 109.392 -179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -60.26 -39.96 88.64 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.109 -0.995 . . . . 0.0 109.578 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -60.02 -41.72 92.77 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.07 -1.019 . . . . 0.0 109.314 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -60.57 -40.01 90.1 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.947 -1.096 . . . . 0.0 109.085 179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -59.98 -46.34 89.76 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.263 -0.898 . . . . 0.0 109.178 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -60.06 -44.33 94.8 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.181 -0.949 . . . . 0.0 109.405 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 86.3 mt -61.55 -41.84 97.95 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.257 -0.902 . . . . 0.0 109.567 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.05 -45.81 91.61 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.286 -0.884 . . . . 0.0 109.038 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -60.0 -48.85 80.02 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.203 -0.936 . . . . 0.0 109.733 -179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 68.7 t -59.99 -41.66 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 O-C-N 121.04 -1.038 . . . . 0.0 109.048 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.94 -49.71 82.9 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.128 -0.982 . . . . 0.0 108.824 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -61.83 -40.34 94.94 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 121.248 -0.907 . . . . 0.0 108.714 179.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.531 ' NE ' ' OD1' ' C' ' 99' ' ' ASN . 34.1 ttm-85 -60.01 -40.01 87.77 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.697 -0.627 . . . . 0.0 109.311 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -60.05 -38.93 84.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.12 -0.987 . . . . 0.0 108.722 179.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 73.6 tp60 -60.03 -47.27 86.55 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.022 -1.049 . . . . 0.0 109.252 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -62.28 -41.02 98.14 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.702 -1.249 . . . . 0.0 109.254 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 22.7 tp -60.57 -40.93 93.5 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.291 -0.88 . . . . 0.0 109.143 179.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 17.3 mt -60.08 -39.94 87.81 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 121.565 -0.71 . . . . 0.0 109.177 179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.468 HH11 ' HG2' ' B' ' 29' ' ' ARG . 39.4 mtt-85 -60.05 -40.34 89.08 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.125 -0.984 . . . . 0.0 108.847 -179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.481 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 93.7 mt -60.33 -41.66 94.0 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.039 -1.038 . . . . 0.0 109.52 179.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 77.8 p -63.06 -40.17 96.89 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.904 -1.123 . . . . 0.0 109.139 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.84 -40.0 83.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 O-C-N 121.546 -0.721 . . . . 0.0 109.123 179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 86.6 t90 -60.08 -43.22 95.63 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.313 -0.867 . . . . 0.0 110.356 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.4 -47.86 88.82 Favored Glycine 0 N--CA 1.486 2.024 0 N-CA-C 109.881 -1.288 . . . . 0.0 109.881 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 87.2 m -60.0 -50.03 75.36 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.065 -1.256 . . . . 0.0 109.916 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -60.52 -40.07 90.09 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.073 -1.017 . . . . 0.0 110.037 -179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.766 HD21 HH21 ' B' ' 41' ' ' ARG . 41.4 t30 -59.95 -40.48 89.17 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.12 -0.988 . . . . 0.0 109.483 -179.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.419 ' O ' HG23 ' B' ' 42' ' ' VAL . 88.8 mt -61.02 -40.21 92.72 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.088 -1.007 . . . . 0.0 109.846 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.99 -42.01 93.3 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.107 -0.995 . . . . 0.0 109.59 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' B' ' 43' ' ' THR . 62.3 p -60.58 -40.08 90.4 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.098 -1.001 . . . . 0.0 108.949 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.766 HH21 HD21 ' B' ' 37' ' ' ASN . 27.2 mtt-85 -69.14 -40.0 78.5 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 179.228 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . 0.419 HG23 ' O ' ' B' ' 38' ' ' LEU . 53.3 t -60.0 -40.97 84.61 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.372 0 O-C-N 121.349 -0.845 . . . . 0.0 108.977 179.419 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 40' ' ' THR . 43.1 p -60.06 -40.07 88.18 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.063 -1.023 . . . . 0.0 109.218 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.17 -43.07 96.13 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.138 -0.976 . . . . 0.0 109.015 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.88 -37.81 77.59 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 O-C-N 121.567 -0.708 . . . . 0.0 109.3 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -60.02 -40.09 88.12 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.077 -1.014 . . . . 0.0 108.374 -178.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -60.75 -46.27 91.08 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.347 -0.846 . . . . 0.0 109.018 178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.527 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 37.9 m-85 -59.95 -40.04 87.64 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.439 -0.788 . . . . 0.0 110.029 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.02 -39.66 86.62 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.986 -1.071 . . . . 0.0 109.112 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -60.06 -39.9 87.61 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.921 -1.112 . . . . 0.0 108.723 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -59.95 -38.75 83.33 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.61 ' NE2' HD21 ' C' ' 74' ' ' ASN . 0.0 OUTLIER -59.87 -40.06 87.35 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.295 -0.878 . . . . 0.0 108.94 179.841 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.21 78.73 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.857 -1.152 . . . . 0.0 108.239 179.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -59.96 -40.06 87.73 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.415 -0.803 . . . . 0.0 109.61 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 77.4 mt -70.46 117.85 12.52 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.054 -1.029 . . . . 0.0 108.743 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.563 ' CG ' ' H ' ' B' ' 70' ' ' VAL . 24.9 m120 -133.49 -60.34 0.84 Allowed 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.439 -0.788 . . . . 0.0 110.775 -179.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.686 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -153.71 115.88 4.33 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.131 -0.981 . . . . 0.0 110.3 -178.712 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.696 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 92.3 m95 -101.6 124.27 46.98 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.516 -0.74 . . . . 0.0 110.367 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 67.12 24.42 73.28 Favored Glycine 0 N--CA 1.493 2.471 0 C-N-CA 120.14 -1.029 . . . . 0.0 110.886 178.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.497 ' HB1' ' HA ' ' A' ' 60' ' ' ALA . . . -76.59 22.91 0.17 Allowed 'General case' 0 C--N 1.302 -1.487 0 O-C-N 120.787 -1.419 . . . . 0.0 109.399 -179.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.54 112.02 1.9 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.21 -0.931 . . . . 0.0 109.684 179.054 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -108.61 12.52 25.87 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 121.258 -0.901 . . . . 0.0 109.957 179.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.478 ' C ' ' NE2' ' B' ' 64' ' ' GLN . 69.0 mtm180 -135.6 24.37 3.42 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.272 -0.893 . . . . 0.0 108.727 178.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.546 ' NE2' ' N ' ' B' ' 64' ' ' GLN . 0.0 OUTLIER -148.15 151.95 36.46 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.266 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 12.4 t -103.02 59.27 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.64 157.62 43.19 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.548 -0.72 . . . . 0.0 109.475 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -129.77 133.84 47.23 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.506 HG23 ' O ' ' B' ' 68' ' ' THR . 6.1 t -88.57 115.06 25.82 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.783 -1.198 . . . . 0.0 109.405 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.558 ' O ' HG23 ' B' ' 69' ' ' THR . 8.8 t -110.88 120.77 43.5 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 -179.681 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.563 ' H ' ' CG ' ' B' ' 56' ' ' ASN . 90.3 t -123.05 83.42 50.91 Favored Pre-proline 0 N--CA 1.496 1.834 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.505 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -86.38 61.71 4.72 Favored 'Trans proline' 0 C--N 1.313 -1.333 0 C-N-CA 122.862 2.375 . . . . 0.0 111.606 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.405 ' O ' ' C ' ' B' ' 73' ' ' PRO . 26.7 t90 -70.07 130.93 89.27 Favored Pre-proline 0 N--CA 1.489 1.488 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 -179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.405 ' C ' ' O ' ' B' ' 72' ' ' TRP . 93.3 Cg_exo -40.61 148.27 0.21 Allowed 'Trans proline' 0 N--CA 1.488 1.177 0 C-N-CA 121.272 1.315 . . . . 0.0 110.805 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.628 HD21 ' NE2' ' A' ' 52' ' ' GLN . 1.9 t-20 -130.9 -38.86 1.24 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.238 -0.913 . . . . 0.0 109.212 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.12 124.81 39.36 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 7.5 t -83.71 105.35 14.55 Favored 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 107.426 -1.324 . . . . 0.0 107.426 179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 39.1 mt -83.23 134.89 34.93 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.609 0.719 . . . . 0.0 109.93 -178.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.579 ' O ' HG23 ' B' ' 78' ' ' THR . 6.2 t -94.86 113.11 60.47 Favored Pre-proline 0 N--CA 1.493 1.723 0 O-C-N 121.578 -0.701 . . . . 0.0 109.569 179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -89.37 -48.2 0.03 OUTLIER 'Trans proline' 0 C--N 1.316 -1.171 0 C-N-CA 121.669 1.58 . . . . 0.0 113.619 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -122.44 -43.43 2.29 Favored 'General case' 0 N--CA 1.506 2.346 0 N-CA-C 113.43 0.9 . . . . 0.0 113.43 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.651 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 3.1 p90 -60.01 -49.9 75.84 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.446 -1.409 . . . . 0.0 112.871 -175.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.651 ' N ' ' CD1' ' B' ' 81' ' ' TRP . 45.8 t30 -72.0 -42.31 66.59 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 119.949 -1.719 . . . . 0.0 109.802 -179.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -60.44 -50.09 74.97 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.328 -0.858 . . . . 0.0 110.41 -179.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.39 -43.01 99.6 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.93 -1.106 . . . . 0.0 109.762 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . 0.44 HG23 ' O ' ' B' ' 81' ' ' TRP . 77.1 p -70.01 -39.96 75.53 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.205 -0.935 . . . . 0.0 109.278 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -68.05 -38.78 82.86 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.236 -0.915 . . . . 0.0 108.951 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -60.06 -39.99 87.93 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.259 -0.901 . . . . 0.0 108.806 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -62.56 -40.12 95.83 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.816 -1.177 . . . . 0.0 109.136 178.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.454 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 62.0 t90 -59.98 -50.0 75.47 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.215 -0.928 . . . . 0.0 111.026 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -67.38 -39.8 85.65 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.686 -1.259 . . . . 0.0 109.037 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.0 -41.43 92.06 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.176 -0.952 . . . . 0.0 110.131 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 38.8 mmtm -59.91 -44.66 94.16 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.569 -1.332 . . . . 0.0 108.455 179.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.63 -40.15 83.75 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.397 -0.815 . . . . 0.0 108.98 179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . 0.4 ' C ' ' OD1' ' B' ' 94' ' ' ASP . 56.5 t0 -60.06 -43.0 95.71 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.297 -0.877 . . . . 0.0 110.182 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -69.37 -40.03 77.69 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 120.928 -1.107 . . . . 0.0 109.054 -179.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 68.6 mt -67.16 -40.05 86.57 Favored 'General case' 0 C--N 1.304 -1.412 0 O-C-N 121.247 -0.908 . . . . 0.0 108.875 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . 0.412 ' OE2' ' NH2' ' B' ' 29' ' ' ARG . 89.0 tt0 -59.92 -46.37 89.57 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.285 -0.885 . . . . 0.0 109.483 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.02 -44.77 94.38 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.12 -0.987 . . . . 0.0 109.269 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.548 ' OD1' ' NE ' ' A' ' 23' ' ' ARG . 14.4 t-20 -61.99 -42.3 98.99 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.249 -0.907 . . . . 0.0 109.61 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 93.2 mt -60.02 -46.24 94.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.148 -0.97 . . . . 0.0 109.197 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 68.3 p -62.05 -40.03 94.39 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.222 -0.924 . . . . 0.0 109.489 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.95 -46.44 89.4 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.197 -0.939 . . . . 0.0 109.575 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 86.1 mt -67.36 -39.96 85.75 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.063 -1.023 . . . . 0.0 109.034 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 85.3 mt -64.69 -43.48 93.37 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.173 -0.954 . . . . 0.0 109.219 179.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.14 -43.49 95.69 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.105 -0.997 . . . . 0.0 109.327 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.77 -39.95 79.97 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.275 -0.891 . . . . 0.0 108.85 179.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.2 -44.49 97.2 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.444 -0.785 . . . . 0.0 109.598 179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 -59.94 -48.68 80.69 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.036 -1.04 . . . . 0.0 109.004 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 91.6 mt -59.99 -50.03 81.7 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.254 -0.904 . . . . 0.0 109.534 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -64.94 -40.89 95.71 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.019 -1.051 . . . . 0.0 109.665 -179.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 62.5 tp60 -60.01 -49.46 77.59 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.228 -0.92 . . . . 0.0 109.912 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -62.53 -41.94 99.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.275 -0.891 . . . . 0.0 110.107 -179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 49.3 mtpt -63.31 -39.97 96.05 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.164 -0.96 . . . . 0.0 109.957 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -63.61 -42.52 98.22 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.068 -1.02 . . . . 0.0 109.532 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 26.8 ttt -69.64 -40.11 76.72 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.139 -0.976 . . . . 0.0 108.642 179.088 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 58.5 t80 -60.0 -49.79 76.27 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.591 -0.693 . . . . 0.0 109.227 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.07 -40.03 88.09 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.317 -0.864 . . . . 0.0 109.545 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 62.0 tp -59.94 -41.49 91.93 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.328 -0.858 . . . . 0.0 109.265 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' B' ' 123' ' ' SER . 27.6 mt-30 -60.69 -40.08 90.84 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.13 -0.981 . . . . 0.0 109.718 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -60.02 -39.17 84.91 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.168 -0.958 . . . . 0.0 109.246 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.9 -46.86 88.0 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.61 -1.255 . . . . 0.0 107.61 179.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -126.23 61.32 1.29 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.573 -0.704 . . . . 0.0 109.456 179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.545 ' N ' ' O ' ' B' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.823 0 O-C-N 121.009 -1.057 . . . . 0.0 109.101 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . 0.414 ' O ' ' NE2' ' A' ' 2' ' ' GLN . . . . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . 0.41 ' NE2' ' O ' ' B' ' 1' ' ' ALA . 96.3 mt-30 -73.93 144.31 45.35 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.243 -0.91 . . . . 0.0 109.374 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 23.0 p -89.87 59.33 4.55 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.173 -0.955 . . . . 0.0 109.427 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . . . . . . . . . 87.3 mtm180 -64.57 -40.07 94.89 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.348 -0.845 . . . . 0.0 109.344 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.49 HG23 ' N ' ' C' ' 6' ' ' LEU . 8.8 t -59.98 -41.26 91.62 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.174 -0.954 . . . . 0.0 109.336 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.49 ' N ' HG23 ' C' ' 5' ' ' THR . 61.1 tp -60.75 -42.68 97.86 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.148 -0.97 . . . . 0.0 108.762 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 20.8 mt -60.22 -39.88 88.19 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.45 -0.781 . . . . 0.0 109.27 179.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.03 -40.75 90.39 Favored 'General case' 0 N--CA 1.486 1.37 0 O-C-N 121.187 -0.946 . . . . 0.0 108.523 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.08 -48.61 68.7 Favored Glycine 0 N--CA 1.487 2.071 0 N-CA-C 108.738 -1.745 . . . . 0.0 108.738 178.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.6 mt -60.06 -48.68 86.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.387 -1.067 . . . . 0.0 109.871 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.96 -46.33 94.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.109 -0.994 . . . . 0.0 109.399 -179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -60.36 -39.9 88.82 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.145 -0.972 . . . . 0.0 109.516 179.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -60.1 -41.89 93.49 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.098 -1.001 . . . . 0.0 109.358 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . . . . . . . . . 86.5 mt-30 -60.38 -40.0 89.28 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.945 -1.097 . . . . 0.0 109.126 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -60.05 -46.36 89.8 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.262 -0.899 . . . . 0.0 109.136 179.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -59.99 -44.52 94.46 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.111 -0.993 . . . . 0.0 109.298 179.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 86.1 mt -61.36 -42.11 98.16 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.124 -0.985 . . . . 0.0 109.571 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 52.8 tp -59.92 -45.73 91.66 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.303 -0.873 . . . . 0.0 109.167 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -59.94 -49.02 79.33 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.21 -0.931 . . . . 0.0 109.745 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 66.5 t -59.94 -41.58 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.156 -0.965 . . . . 0.0 108.941 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.0 -49.88 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.084 -1.01 . . . . 0.0 108.718 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -61.69 -40.25 94.34 Favored 'General case' 0 C--N 1.303 -1.428 0 O-C-N 121.231 -0.918 . . . . 0.0 108.793 179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.542 ' NE ' ' OD1' ' A' ' 99' ' ' ASN . 34.4 ttm-85 -60.03 -40.01 87.86 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.632 -0.667 . . . . 0.0 109.33 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -59.99 -39.14 84.7 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.105 -0.997 . . . . 0.0 108.698 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 73.5 tp60 -59.94 -47.23 86.64 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.981 -1.075 . . . . 0.0 109.204 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -62.31 -41.02 98.18 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.576 -1.327 . . . . 0.0 109.216 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.2 tp -60.74 -40.58 92.95 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.331 -0.855 . . . . 0.0 109.235 179.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 17.5 mt -60.0 -40.02 87.76 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.452 -0.78 . . . . 0.0 109.239 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . 0.466 ' HG2' HH11 ' C' ' 29' ' ' ARG . 39.4 mtt-85 -60.01 -40.47 89.38 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.995 -1.065 . . . . 0.0 108.865 -179.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.464 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 93.1 mt -60.24 -41.95 94.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.035 -1.041 . . . . 0.0 109.553 179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 78.5 p -62.89 -40.13 96.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.893 -1.129 . . . . 0.0 109.184 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.91 -40.05 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.425 -0.797 . . . . 0.0 109.082 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 86.5 t90 -59.98 -43.08 95.34 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.37 -0.831 . . . . 0.0 110.379 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.71 -47.73 89.5 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 -179.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 85.1 m -60.02 -50.01 75.42 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.117 -1.225 . . . . 0.0 109.929 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -60.59 -39.97 90.05 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.073 -1.017 . . . . 0.0 110.088 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.81 HD21 HH21 ' C' ' 41' ' ' ARG . 40.8 t30 -60.07 -40.36 89.23 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.162 -0.961 . . . . 0.0 109.526 -179.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.407 ' O ' HG23 ' C' ' 42' ' ' VAL . 89.0 mt -61.0 -40.3 92.99 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.173 -0.954 . . . . 0.0 109.92 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -59.94 -42.09 93.25 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.177 -0.952 . . . . 0.0 109.572 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 62.3 p -60.5 -40.0 89.77 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.01 -1.056 . . . . 0.0 108.906 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.81 HH21 HD21 ' C' ' 37' ' ' ASN . 26.1 mtt-85 -69.3 -39.94 78.0 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.184 -0.948 . . . . 0.0 108.553 179.294 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . 0.407 HG23 ' O ' ' C' ' 38' ' ' LEU . 53.1 t -60.05 -41.01 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.421 -0.799 . . . . 0.0 108.856 179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 42.7 p -60.01 -40.03 87.82 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.016 -1.053 . . . . 0.0 109.331 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.16 -43.03 96.12 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.041 -1.037 . . . . 0.0 108.862 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 81.9 mt -60.86 -37.84 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.538 -0.726 . . . . 0.0 109.363 179.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -60.01 -40.07 87.96 Favored 'General case' 0 C--N 1.305 -1.339 0 O-C-N 121.063 -1.023 . . . . 0.0 108.447 -178.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -60.67 -46.1 91.64 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.363 -0.836 . . . . 0.0 109.132 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 74' ' ' ASN . 37.9 m-85 -60.14 -39.96 88.13 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.485 -0.759 . . . . 0.0 110.122 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . . . . . . . . . 86.7 mt -60.04 -39.88 87.47 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.106 -0.996 . . . . 0.0 108.967 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -59.92 -39.95 87.18 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.984 -1.072 . . . . 0.0 108.605 179.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -59.93 -38.83 83.5 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.634 ' NE2' HD21 ' A' ' 74' ' ' ASN . 0.0 OUTLIER -59.95 -39.95 87.34 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.401 -0.812 . . . . 0.0 108.909 179.844 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.17 -38.07 78.87 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.853 -1.154 . . . . 0.0 108.183 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -59.94 -40.05 87.64 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.338 -0.851 . . . . 0.0 109.729 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 77.9 mt -70.55 117.75 12.47 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.045 -1.034 . . . . 0.0 108.734 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.526 ' CG ' ' H ' ' C' ' 70' ' ' VAL . 24.7 m120 -133.28 -60.63 0.84 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.299 -0.876 . . . . 0.0 110.681 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.696 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -153.5 116.28 4.49 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.067 -1.02 . . . . 0.0 110.247 -178.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.69 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 92.1 m95 -101.83 124.29 47.21 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.488 -0.757 . . . . 0.0 110.348 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.424 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 67.15 24.53 73.35 Favored Glycine 0 N--CA 1.49 2.284 0 C-N-CA 120.176 -1.011 . . . . 0.0 110.897 178.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.473 ' HB1' ' HA ' ' B' ' 60' ' ' ALA . . . -76.61 22.73 0.17 Allowed 'General case' 0 N--CA 1.487 1.402 0 O-C-N 120.791 -1.417 . . . . 0.0 109.384 -179.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.52 111.74 1.88 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.206 -0.934 . . . . 0.0 109.781 179.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -108.35 12.72 26.15 Favored 'General case' 0 N--CA 1.503 2.184 0 O-C-N 121.319 -0.863 . . . . 0.0 110.037 178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.477 ' C ' ' NE2' ' C' ' 64' ' ' GLN . 69.1 mtm180 -135.62 24.39 3.41 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.263 -0.898 . . . . 0.0 108.596 178.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.552 ' NE2' ' N ' ' C' ' 64' ' ' GLN . 0.0 OUTLIER -148.21 151.88 36.25 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 179.287 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 12.2 t -102.79 59.06 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.8 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -150.71 157.36 42.87 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.461 -0.774 . . . . 0.0 109.551 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -129.24 134.2 47.87 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 179.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.515 ' O ' HG23 ' C' ' 68' ' ' THR . 6.0 t -88.91 114.96 26.1 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.739 -1.226 . . . . 0.0 109.37 -178.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . 0.57 ' O ' HG23 ' C' ' 69' ' ' THR . 8.8 t -110.96 120.71 43.3 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 -179.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.526 ' H ' ' CG ' ' C' ' 56' ' ' ASN . 91.1 t -122.86 83.51 49.78 Favored Pre-proline 0 N--CA 1.494 1.76 0 N-CA-C 109.106 -0.701 . . . . 0.0 109.106 -179.41 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -86.53 61.77 4.59 Favored 'Trans proline' 0 C--N 1.312 -1.393 0 C-N-CA 122.831 2.354 . . . . 0.0 111.663 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . 0.41 ' CE3' ' O ' ' C' ' 73' ' ' PRO . 26.3 t90 -69.95 130.79 89.6 Favored Pre-proline 0 C--N 1.303 -1.455 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . 0.41 ' O ' ' CE3' ' C' ' 72' ' ' TRP . 91.5 Cg_exo -40.42 148.84 0.17 Allowed 'Trans proline' 0 N--CA 1.489 1.225 0 C-N-CA 121.325 1.35 . . . . 0.0 110.781 179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.61 HD21 ' NE2' ' B' ' 52' ' ' GLN . 1.9 t-20 -131.54 -38.5 1.17 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.164 -0.96 . . . . 0.0 109.232 -179.009 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.62 124.52 39.68 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 108.82 -0.807 . . . . 0.0 108.82 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 7.9 t -83.54 105.28 14.35 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 107.476 -1.305 . . . . 0.0 107.476 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 38.7 mt -83.08 134.97 34.99 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 121.577 0.703 . . . . 0.0 109.849 -178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.58 HG23 ' O ' ' C' ' 78' ' ' THR . 6.0 t -95.13 113.08 60.65 Favored Pre-proline 0 N--CA 1.495 1.775 0 O-C-N 121.643 -0.661 . . . . 0.0 109.462 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -89.37 -48.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.315 -1.227 0 C-N-CA 121.576 1.518 . . . . 0.0 113.511 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -122.2 -43.54 2.31 Favored 'General case' 0 N--CA 1.506 2.358 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -177.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.657 ' CD1' ' N ' ' C' ' 82' ' ' ASN . 3.1 p90 -60.04 -49.52 77.34 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.418 -1.426 . . . . 0.0 112.834 -175.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.657 ' N ' ' CD1' ' C' ' 81' ' ' TRP . 45.6 t30 -72.14 -42.61 65.8 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 119.952 -1.717 . . . . 0.0 109.829 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -60.05 -50.0 75.43 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.224 -0.923 . . . . 0.0 110.453 -179.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.63 -42.85 99.46 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.776 -1.203 . . . . 0.0 109.775 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . 0.437 HG23 ' O ' ' C' ' 81' ' ' TRP . 77.2 p -70.06 -39.99 75.33 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.084 -1.01 . . . . 0.0 109.239 179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 46.1 t-105 -67.95 -38.61 83.01 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.341 -0.849 . . . . 0.0 109.001 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -60.08 -39.99 87.99 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.128 -0.983 . . . . 0.0 108.846 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -62.8 -39.94 95.81 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.758 -1.214 . . . . 0.0 109.18 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.481 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 61.5 t90 -60.02 -50.03 75.34 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.362 -0.836 . . . . 0.0 110.859 -179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -67.33 -39.95 85.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 120.62 -1.3 . . . . 0.0 109.108 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 96.6 mtt180 -59.98 -41.17 91.41 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.144 -0.972 . . . . 0.0 110.128 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -60.1 -44.54 94.75 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.688 -1.258 . . . . 0.0 108.476 179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.82 -40.01 83.73 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.493 0 O-C-N 121.442 -0.786 . . . . 0.0 108.93 179.095 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' C' ' 94' ' ' ASP . 57.1 t0 -59.98 -42.69 94.74 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.524 -0.735 . . . . 0.0 110.316 -179.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -69.88 -39.96 75.98 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 120.922 -1.111 . . . . 0.0 109.015 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 70.8 mt -67.06 -40.08 87.02 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.252 -0.905 . . . . 0.0 108.866 179.528 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . 0.42 ' OE2' ' NH2' ' C' ' 29' ' ' ARG . 88.9 tt0 -59.97 -46.39 89.58 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.262 -0.899 . . . . 0.0 109.521 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.02 -44.68 94.45 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.093 -1.004 . . . . 0.0 109.231 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . 0.531 ' OD1' ' NE ' ' B' ' 23' ' ' ARG . 14.4 t-20 -62.12 -42.08 98.88 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.235 -0.916 . . . . 0.0 109.668 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.1 -46.99 93.69 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.028 -1.045 . . . . 0.0 108.939 179.487 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 71.6 p -61.22 -40.1 92.74 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.246 -0.909 . . . . 0.0 109.705 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.91 -46.35 89.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.096 -1.002 . . . . 0.0 109.673 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.41 -40.01 85.53 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.064 -1.022 . . . . 0.0 108.951 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.67 -43.54 93.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.212 -0.93 . . . . 0.0 109.251 179.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -60.02 -43.59 95.15 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.222 -0.924 . . . . 0.0 109.279 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -68.69 -40.01 80.27 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.225 -0.922 . . . . 0.0 108.839 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.39 97.36 Favored 'General case' 0 N--CA 1.487 1.397 0 O-C-N 121.415 -0.803 . . . . 0.0 109.612 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -60.01 -48.77 80.32 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.148 -0.97 . . . . 0.0 109.025 179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 91.6 mt -60.0 -50.01 81.79 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.394 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.564 179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 56.3 tt0 -64.87 -40.8 95.7 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.069 -1.019 . . . . 0.0 109.709 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -60.07 -49.28 78.27 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.243 -0.911 . . . . 0.0 109.79 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.97 -41.9 99.67 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.296 -0.877 . . . . 0.0 109.99 -179.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -63.21 -40.01 96.26 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 121.048 -1.032 . . . . 0.0 109.983 -179.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -63.23 -42.51 99.23 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.087 -1.008 . . . . 0.0 109.653 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 26.9 ttt -69.87 -40.04 75.95 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.088 -1.007 . . . . 0.0 108.673 179.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -60.06 -49.8 76.21 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -40.04 87.85 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.339 -0.851 . . . . 0.0 109.39 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 62.9 tp -59.94 -41.32 91.58 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.245 -0.91 . . . . 0.0 109.5 -179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.545 ' O ' ' N ' ' C' ' 123' ' ' SER . 27.6 mt-30 -60.98 -40.03 91.89 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.085 -1.01 . . . . 0.0 109.611 179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -59.95 -39.04 84.22 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.174 -0.954 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 96.3 mt -59.99 -46.75 88.45 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 107.627 -1.249 . . . . 0.0 107.627 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -126.47 61.44 1.3 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.547 -0.721 . . . . 0.0 109.425 179.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.545 ' N ' ' O ' ' C' ' 119' ' ' GLN . 1.5 t . . . . . 0 N--CA 1.495 1.824 0 O-C-N 120.981 -1.074 . . . . 0.0 109.11 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -68.68 143.36 54.77 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.336 -0.852 . . . . 0.0 109.127 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.6 p -90.0 61.16 5.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.214 -0.928 . . . . 0.0 109.007 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.405 HH11 ' HG3' ' A' ' 4' ' ' ARG . 34.6 mtm-85 -62.79 -39.95 95.8 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.448 -0.782 . . . . 0.0 109.212 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.517 HG23 ' N ' ' A' ' 6' ' ' LEU . 7.9 t -59.99 -42.82 95.05 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.188 -0.945 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.517 ' N ' HG23 ' A' ' 5' ' ' THR . 59.2 tp -62.7 -40.03 95.87 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.073 -1.017 . . . . 0.0 109.345 179.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.9 mt -64.97 -38.99 92.78 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.369 -0.832 . . . . 0.0 109.958 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.05 88.15 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.034 -1.041 . . . . 0.0 108.793 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.94 -47.32 60.91 Favored Glycine 0 N--CA 1.487 2.085 0 N-CA-C 108.687 -1.765 . . . . 0.0 108.687 178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.91 -49.12 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.435 0 O-C-N 121.34 -1.094 . . . . 0.0 109.018 179.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 79.0 t -59.95 -43.26 91.95 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.215 -0.928 . . . . 0.0 108.935 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.44 ' NE2' HE22 ' B' ' 110' ' ' GLN . 64.0 tt0 -61.4 -40.04 92.93 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.308 -0.87 . . . . 0.0 109.256 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -60.03 -42.15 93.78 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.26 -0.9 . . . . 0.0 109.451 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.438 HE21 ' HG3' ' C' ' 14' ' ' GLN . 94.7 mt-30 -60.13 -42.13 94.14 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 120.97 -1.081 . . . . 0.0 109.024 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 56.8 tt0 -60.0 -47.25 86.62 Favored 'General case' 0 C--N 1.304 -1.392 0 O-C-N 121.345 -0.847 . . . . 0.0 109.191 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.04 -42.29 94.1 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.239 -0.913 . . . . 0.0 109.615 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.33 -43.07 99.68 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 121.164 -0.96 . . . . 0.0 108.907 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.439 HD21 HE21 ' A' ' 108' ' ' GLN . 59.9 tp -60.01 -44.33 94.64 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 121.481 -0.762 . . . . 0.0 109.272 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' C ' ' OD1' ' A' ' 19' ' ' ASP . 53.3 t0 -60.12 -46.77 88.51 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.085 -1.009 . . . . 0.0 109.799 -179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 76.4 t -60.2 -40.0 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.998 -1.064 . . . . 0.0 109.571 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.2 t -60.04 -41.84 87.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.423 0 O-C-N 121.125 -0.984 . . . . 0.0 108.553 -179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.44 -41.38 93.9 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.631 -0.668 . . . . 0.0 109.376 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.471 ' NH2' ' ND2' ' B' ' 99' ' ' ASN . 32.0 mmt180 -60.59 -41.12 94.05 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 109.752 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -60.12 -39.92 87.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.144 -0.973 . . . . 0.0 109.262 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -60.01 -46.1 90.61 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.251 -0.906 . . . . 0.0 109.215 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.83 -40.17 94.75 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.122 -0.986 . . . . 0.0 109.424 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.0 tp -64.18 -40.3 95.81 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.226 -0.921 . . . . 0.0 109.177 179.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.16 -40.15 88.9 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.369 -0.832 . . . . 0.0 109.354 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.69 -40.79 93.5 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.363 -0.835 . . . . 0.0 109.817 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.554 ' C ' ' HE1' ' B' ' 89' ' ' TRP . 89.7 mt -62.81 -40.81 98.52 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.213 -0.929 . . . . 0.0 109.773 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.7 p -62.54 -39.93 95.19 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.957 -1.089 . . . . 0.0 109.381 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 77.7 t -62.46 -39.96 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.288 -0.882 . . . . 0.0 109.256 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 87.1 t90 -59.97 -42.6 94.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.205 -0.935 . . . . 0.0 110.102 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -48.77 84.43 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 94.4 m -59.95 -50.09 75.12 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.142 -1.211 . . . . 0.0 109.937 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 57.1 mttm -61.04 -40.02 92.04 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.098 -1.001 . . . . 0.0 110.025 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.448 HD21 HH21 ' A' ' 41' ' ' ARG . 42.6 t30 -59.95 -40.79 90.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.128 -0.983 . . . . 0.0 109.266 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.5 mt -60.87 -39.92 91.04 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.232 -0.918 . . . . 0.0 109.858 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -60.02 -40.34 88.97 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.976 -1.077 . . . . 0.0 109.775 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.2 p -60.05 -40.37 89.16 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.029 -1.045 . . . . 0.0 108.42 179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.536 ' NH2' ' OD1' ' B' ' 82' ' ' ASN . 37.4 mtt-85 -68.96 -40.0 79.15 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.502 -0.748 . . . . 0.0 109.017 178.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.0 -42.59 90.13 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 O-C-N 121.21 -0.931 . . . . 0.0 108.651 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.2 p -59.99 -40.04 87.8 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.946 -1.096 . . . . 0.0 109.015 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.97 -44.13 94.66 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.24 -0.912 . . . . 0.0 108.61 179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 87.6 mt -59.96 -39.29 79.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 O-C-N 121.638 -0.664 . . . . 0.0 109.368 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -59.99 -39.99 87.66 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.148 -0.97 . . . . 0.0 109.34 -178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -64.61 -39.96 94.64 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.795 -1.191 . . . . 0.0 109.681 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' B' ' 74' ' ' ASN . 54.2 m-85 -66.24 -39.62 89.66 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 120.912 -1.117 . . . . 0.0 109.533 179.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.45 HD22 HE22 ' C' ' 52' ' ' GLN . 82.2 mt -60.07 -39.94 87.82 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.182 -0.949 . . . . 0.0 108.595 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -60.01 -39.96 87.6 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.827 -1.17 . . . . 0.0 108.655 178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -60.02 -39.2 85.01 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.234 -0.916 . . . . 0.0 108.881 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.843 HE21 HD21 ' B' ' 74' ' ' ASN . 19.1 mt-30 -59.97 -40.03 87.68 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.034 -1.041 . . . . 0.0 109.128 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.87 -39.98 75.32 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 179.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -59.99 -39.56 86.17 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.742 -0.836 . . . . 0.0 108.742 178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.72 114.84 7.43 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.3 -0.875 . . . . 0.0 108.715 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.767 ' ND2' ' H ' ' A' ' 70' ' ' VAL . 74.9 m-80 -134.83 -65.54 0.62 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.35 -0.844 . . . . 0.0 110.714 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.762 ' HB2' ' H ' ' C' ' 58' ' ' TRP . . . -153.94 116.38 4.37 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.42 -0.8 . . . . 0.0 109.824 -178.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.77 ' H ' ' HB2' ' B' ' 57' ' ' ALA . 82.2 m95 -100.04 125.52 46.11 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.416 -0.802 . . . . 0.0 110.175 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 61' ' ' ALA . . . 64.91 27.3 72.0 Favored Glycine 0 N--CA 1.489 2.231 0 C-N-CA 120.016 -1.088 . . . . 0.0 110.701 178.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.491 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . . . -75.69 22.62 0.13 Allowed 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.631 -1.511 . . . . 0.0 108.966 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 59' ' ' GLY . . . -160.47 115.88 2.28 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.207 -0.933 . . . . 0.0 109.511 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.464 ' CG ' ' NE2' ' B' ' 64' ' ' GLN . 33.0 m-85 -118.2 11.99 13.36 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 121.318 -0.864 . . . . 0.0 110.673 179.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.415 HH11 ' HG3' ' A' ' 63' ' ' ARG . 2.6 ptm180 -137.52 24.73 2.91 Favored 'General case' 0 N--CA 1.497 1.891 0 N-CA-C 107.118 -1.438 . . . . 0.0 107.118 177.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.452 ' NE2' ' CG ' ' C' ' 62' ' ' PHE . 30.1 mt-30 -143.64 152.62 41.59 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 -179.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -102.61 56.31 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 178.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.21 157.89 43.22 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.471 -0.768 . . . . 0.0 110.115 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -129.99 135.04 47.84 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 68' ' ' THR . 7.2 t -89.64 113.57 25.05 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.464 -1.398 . . . . 0.0 109.567 -178.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.5 122.66 48.33 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.767 ' H ' ' ND2' ' A' ' 56' ' ' ASN . 72.5 t -129.66 84.01 62.71 Favored Pre-proline 0 N--CA 1.495 1.792 0 O-C-N 121.506 -0.746 . . . . 0.0 109.494 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -85.77 62.97 5.45 Favored 'Trans proline' 0 C--N 1.312 -1.384 0 C-N-CA 122.744 2.296 . . . . 0.0 111.331 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TRP . . . . . 0.409 ' O ' ' C ' ' A' ' 73' ' ' PRO . 13.0 t90 -69.8 130.56 90.07 Favored Pre-proline 0 N--CA 1.488 1.473 0 O-C-N 121.412 -0.805 . . . . 0.0 109.037 -179.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.409 ' C ' ' O ' ' A' ' 72' ' ' TRP . 85.9 Cg_exo -39.58 147.93 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.166 0 C-N-CA 121.49 1.46 . . . . 0.0 110.911 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.799 HD21 HE21 ' C' ' 52' ' ' GLN . 2.4 t-20 -132.03 -35.6 1.21 Allowed 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.391 -0.818 . . . . 0.0 109.439 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.69 126.85 42.15 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 t -80.96 110.0 16.08 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 107.543 -1.28 . . . . 0.0 107.543 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.2 mt -77.53 138.53 39.24 Favored 'General case' 0 C--N 1.297 -1.69 0 CA-C-O 121.599 0.714 . . . . 0.0 109.357 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.729 HG23 ' O ' ' A' ' 78' ' ' THR . 10.0 t -139.03 85.77 15.62 Favored Pre-proline 0 N--CA 1.493 1.712 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.425 ' CD ' ' H ' ' A' ' 80' ' ' LYS . 17.4 Cg_endo -102.23 -44.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 123.604 2.87 . . . . 0.0 114.293 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.425 ' H ' ' CD ' ' A' ' 79' ' ' PRO . 55.5 tttm -79.29 -47.94 14.99 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.185 -0.947 . . . . 0.0 113.13 -176.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 0.515 ' CE2' ' OG1' ' A' ' 78' ' ' THR . 4.2 p90 -82.88 -43.59 16.38 Favored 'General case' 0 N--CA 1.505 2.319 0 O-C-N 120.391 -1.443 . . . . 0.0 112.532 -177.254 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.52 ' OD1' ' NH2' ' C' ' 41' ' ' ARG . 38.0 t30 -69.34 -39.98 77.84 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.483 -1.386 . . . . 0.0 110.564 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -60.0 -49.98 75.55 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.958 -1.089 . . . . 0.0 110.03 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -60.36 -42.45 95.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.924 -1.11 . . . . 0.0 109.784 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 76.7 p -69.65 -40.02 76.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.186 -0.946 . . . . 0.0 109.432 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 40.7 t-105 -67.47 -39.99 85.31 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.078 -1.014 . . . . 0.0 109.748 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.04 -41.13 91.61 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 120.775 -1.203 . . . . 0.0 108.751 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -60.01 -43.54 95.18 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 120.876 -1.14 . . . . 0.0 108.158 178.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.565 ' HE1' ' C ' ' C' ' 30' ' ' LEU . 66.3 t90 -60.14 -49.93 75.71 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.5 -0.75 . . . . 0.0 109.691 179.115 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -66.61 -40.47 88.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.38 -0.825 . . . . 0.0 109.407 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.466 ' HG2' HH11 ' A' ' 91' ' ' ARG . 33.0 mtt-85 -65.41 -39.93 92.76 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.285 -0.884 . . . . 0.0 109.9 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -60.13 -43.22 95.84 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.946 -1.097 . . . . 0.0 108.804 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.16 -40.83 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.339 -0.851 . . . . 0.0 109.498 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 63.5 t0 -60.08 -44.91 94.44 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.131 -0.98 . . . . 0.0 110.282 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -64.84 -40.1 94.62 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.878 -1.139 . . . . 0.0 109.663 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.1 mt -66.21 -40.67 90.49 Favored 'General case' 0 C--N 1.302 -1.47 0 O-C-N 121.271 -0.893 . . . . 0.0 109.34 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.44 -42.52 99.52 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.141 -0.974 . . . . 0.0 109.191 179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.05 -47.75 84.59 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.402 -0.812 . . . . 0.0 109.534 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.462 ' ND2' ' NH2' ' C' ' 23' ' ' ARG . 27.9 t-20 -60.11 -44.7 94.67 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.312 -0.868 . . . . 0.0 109.0 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.04 -46.9 93.66 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.411 -0.805 . . . . 0.0 109.76 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.1 p -59.98 -41.79 92.76 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.989 -1.07 . . . . 0.0 109.201 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -50.06 75.22 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.273 -0.892 . . . . 0.0 109.518 179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 90.2 mt -60.06 -43.07 95.69 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.329 -0.857 . . . . 0.0 109.534 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.56 -41.75 99.11 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.224 -0.923 . . . . 0.0 109.413 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -59.95 -46.83 88.14 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 121.076 -1.015 . . . . 0.0 109.05 179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -62.7 -40.44 97.13 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.178 -0.952 . . . . 0.0 108.96 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.6 -43.73 97.09 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.341 -0.849 . . . . 0.0 109.485 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.439 HE21 HD21 ' A' ' 18' ' ' LEU . 86.2 mm-40 -60.02 -48.66 80.78 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.049 -1.032 . . . . 0.0 108.842 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 89.7 mt -59.99 -49.97 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.412 -0.805 . . . . 0.0 109.709 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.447 HE22 ' NE2' ' C' ' 12' ' ' GLN . 88.6 mt-30 -68.89 -40.05 79.41 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.195 -0.941 . . . . 0.0 109.558 -179.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -60.65 -49.93 75.53 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.268 -0.895 . . . . 0.0 109.436 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -65.67 -39.99 91.93 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.276 -0.89 . . . . 0.0 109.326 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -63.88 -39.99 95.48 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.318 -0.864 . . . . 0.0 109.965 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -65.44 -44.42 87.32 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 120.935 -1.103 . . . . 0.0 109.46 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' MET . . . . . . . . . . . . . 51.9 ttm -68.84 -39.97 79.65 Favored 'General case' 0 N--CA 1.486 1.331 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 63.4 t80 -60.04 -49.94 75.67 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.588 -0.695 . . . . 0.0 109.189 179.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -60.83 -39.99 91.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.239 -0.913 . . . . 0.0 109.255 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.0 -42.07 93.46 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.343 -0.848 . . . . 0.0 109.392 -179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.466 ' O ' ' N ' ' A' ' 123' ' ' SER . 96.3 mt-30 -61.33 -40.71 95.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.106 -0.996 . . . . 0.0 109.678 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -60.03 -39.98 87.73 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.389 -0.819 . . . . 0.0 109.449 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 90.4 mt -58.57 -46.57 86.62 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -125.81 61.22 1.25 Allowed 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.59 -0.694 . . . . 0.0 109.387 179.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.466 ' N ' ' O ' ' A' ' 119' ' ' GLN . 2.3 p . . . . . 0 N--CA 1.496 1.87 0 CA-C-O 117.974 -1.012 . . . . 0.0 109.036 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -68.85 143.5 54.52 Favored 'General case' 0 C--N 1.304 -1.375 0 O-C-N 121.326 -0.859 . . . . 0.0 109.051 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -89.99 61.19 5.17 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.196 -0.94 . . . . 0.0 108.99 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . 0.419 HH11 ' HG3' ' B' ' 4' ' ' ARG . 34.7 mtm-85 -62.85 -40.02 96.17 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.51 -0.744 . . . . 0.0 109.216 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.511 HG23 ' N ' ' B' ' 6' ' ' LEU . 8.0 t -59.97 -42.31 93.86 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.17 -0.956 . . . . 0.0 109.329 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.511 ' N ' HG23 ' B' ' 5' ' ' THR . 58.8 tp -63.29 -40.14 96.54 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.184 -0.947 . . . . 0.0 109.401 179.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.1 mt -64.99 -39.09 92.95 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.357 -0.84 . . . . 0.0 109.913 179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.01 87.7 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.054 -1.029 . . . . 0.0 108.676 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.99 -47.29 60.81 Favored Glycine 0 N--CA 1.488 2.152 0 N-CA-C 108.736 -1.746 . . . . 0.0 108.736 178.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ILE . . . . . . . . . . . . . 97.0 mt -59.99 -48.76 86.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.522 0 O-C-N 121.427 -1.043 . . . . 0.0 109.077 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 78.2 t -60.02 -43.31 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.575 0 O-C-N 121.295 -0.878 . . . . 0.0 109.037 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . 0.449 ' NE2' HE22 ' C' ' 110' ' ' GLN . 63.9 tt0 -61.64 -39.99 93.29 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.365 -0.834 . . . . 0.0 109.232 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.94 -41.91 92.88 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.209 -0.932 . . . . 0.0 109.458 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' GLN . . . . . 0.411 HE21 ' HG3' ' A' ' 14' ' ' GLN . 94.5 mt-30 -60.52 -42.03 95.6 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.112 -0.992 . . . . 0.0 109.029 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -60.0 -47.09 87.25 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.334 -0.854 . . . . 0.0 109.215 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -60.16 -42.07 94.14 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.246 -0.909 . . . . 0.0 109.649 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.5 -43.03 99.8 Favored 'General case' 0 N--CA 1.487 1.389 0 O-C-N 121.24 -0.913 . . . . 0.0 108.776 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.426 HD21 HE21 ' B' ' 108' ' ' GLN . 58.9 tp -60.1 -44.46 94.82 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.514 -0.741 . . . . 0.0 109.283 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -60.1 -46.24 90.26 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.173 -0.955 . . . . 0.0 109.915 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 75.8 t -60.59 -39.98 83.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 120.968 -1.082 . . . . 0.0 109.441 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.06 -41.8 87.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -60.66 -41.37 94.89 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.599 -0.688 . . . . 0.0 109.38 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.492 ' NH2' ' ND2' ' C' ' 99' ' ' ASN . 32.1 mmt180 -60.74 -40.61 93.03 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.335 -0.853 . . . . 0.0 109.831 -179.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.54 -39.94 89.73 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.155 -0.965 . . . . 0.0 109.119 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -60.06 -45.96 91.13 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.21 -0.931 . . . . 0.0 109.195 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -65.1 -40.03 93.99 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.097 -1.002 . . . . 0.0 109.401 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . . . . . . . . . 23.3 tp -64.21 -40.13 95.42 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.309 -0.87 . . . . 0.0 109.253 179.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.12 -40.04 88.35 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.477 -0.765 . . . . 0.0 109.455 179.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.0 -40.51 93.82 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.259 -0.901 . . . . 0.0 109.691 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.591 ' C ' ' HE1' ' C' ' 89' ' ' TRP . 90.9 mt -63.09 -40.55 97.98 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.189 -0.945 . . . . 0.0 109.646 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' THR . . . . . . . . . . . . . 82.7 p -62.69 -39.99 95.7 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.15 -0.969 . . . . 0.0 109.403 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 77.1 t -62.31 -40.05 86.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.247 -0.908 . . . . 0.0 109.257 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . . . . . . . . . 86.0 t90 -60.01 -42.5 94.44 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.27 -0.894 . . . . 0.0 110.095 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.97 -48.87 83.94 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.714 -1.355 . . . . 0.0 109.714 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 94.5 m -60.0 -49.99 75.51 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.057 -1.261 . . . . 0.0 109.982 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 57.0 mttm -61.09 -39.95 91.86 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.163 -0.961 . . . . 0.0 109.974 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.45 HD21 HH21 ' B' ' 41' ' ' ARG . 42.3 t30 -60.03 -40.97 91.18 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.102 -0.999 . . . . 0.0 109.232 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 88.2 mt -60.53 -40.08 90.22 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.142 -0.974 . . . . 0.0 109.855 179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -59.95 -40.26 88.4 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.091 -1.006 . . . . 0.0 109.792 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' THR . . . . . . . . . . . . . 55.9 p -60.18 -40.29 89.47 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.003 -1.06 . . . . 0.0 108.407 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ARG . . . . . 0.539 ' NH2' ' OD1' ' C' ' 82' ' ' ASN . 36.4 mtt-85 -68.99 -39.91 79.1 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.513 -0.742 . . . . 0.0 109.026 178.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.96 -42.63 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 O-C-N 121.178 -0.951 . . . . 0.0 108.623 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 55.9 p -60.08 -39.98 87.99 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.046 -1.034 . . . . 0.0 109.044 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.05 -43.9 95.08 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.679 -0.859 . . . . 0.0 108.679 179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ILE . . . . . . . . . . . . . 88.0 mt -60.02 -39.34 80.02 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.628 -0.67 . . . . 0.0 109.34 179.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.195 -0.94 . . . . 0.0 109.416 -178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -64.46 -40.4 95.64 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 120.819 -1.175 . . . . 0.0 109.633 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . 0.536 ' CG ' ' O ' ' C' ' 74' ' ' ASN . 55.1 m-85 -65.85 -39.7 91.01 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.976 -1.077 . . . . 0.0 109.637 179.502 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LEU . . . . . 0.436 HD22 HE22 ' A' ' 52' ' ' GLN . 82.1 mt -60.13 -39.84 87.68 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.153 -0.967 . . . . 0.0 108.615 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -60.11 -39.97 88.05 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.941 -1.1 . . . . 0.0 108.589 178.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -60.0 -39.22 85.01 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.266 -0.896 . . . . 0.0 108.994 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.818 HE21 HD21 ' C' ' 74' ' ' ASN . 18.8 mt-30 -59.94 -40.06 87.65 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.009 -1.057 . . . . 0.0 109.088 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.9 -40.06 75.56 Favored 'General case' 0 C--N 1.307 -1.271 0 N-CA-C 107.676 -1.231 . . . . 0.0 107.676 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -60.02 -39.66 86.62 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 178.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 90.3 mt -68.54 114.89 7.34 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.305 -0.872 . . . . 0.0 108.734 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.776 ' ND2' ' H ' ' B' ' 70' ' ' VAL . 75.2 m-80 -134.91 -65.34 0.63 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.449 -0.782 . . . . 0.0 110.565 -179.322 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.77 ' HB2' ' H ' ' A' ' 58' ' ' TRP . . . -154.24 116.41 4.28 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.285 -0.884 . . . . 0.0 109.827 -178.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' TRP . . . . . 0.78 ' H ' ' HB2' ' C' ' 57' ' ' ALA . 82.2 m95 -99.89 125.11 45.81 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.316 -0.865 . . . . 0.0 110.215 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' GLY . . . . . 0.473 ' C ' ' H ' ' B' ' 61' ' ' ALA . . . 65.23 27.51 72.48 Favored Glycine 0 N--CA 1.491 2.357 0 C-N-CA 120.006 -1.092 . . . . 0.0 110.602 178.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ALA . . . . . 0.473 ' HB2' ' HB1' ' B' ' 57' ' ' ALA . . . -75.87 22.86 0.14 Allowed 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.652 -1.499 . . . . 0.0 108.932 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' B' ' 59' ' ' GLY . . . -160.87 115.7 2.14 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.299 -0.876 . . . . 0.0 109.583 179.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' PHE . . . . . 0.46 ' CG ' ' NE2' ' C' ' 64' ' ' GLN . 33.0 m-85 -117.95 12.37 13.71 Favored 'General case' 0 N--CA 1.509 2.481 0 O-C-N 121.326 -0.859 . . . . 0.0 110.761 179.453 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.425 ' HG3' HH11 ' B' ' 63' ' ' ARG . 2.5 ptm180 -137.62 24.72 2.88 Favored 'General case' 0 N--CA 1.496 1.863 0 N-CA-C 107.065 -1.457 . . . . 0.0 107.065 177.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLN . . . . . 0.464 ' NE2' ' CG ' ' A' ' 62' ' ' PHE . 30.1 mt-30 -143.77 152.7 41.57 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 -179.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' VAL . . . . . . . . . . . . . 3.2 t -102.62 56.36 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 178.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.15 157.88 43.27 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.534 -0.729 . . . . 0.0 110.085 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -129.99 134.8 47.67 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' THR . . . . . 0.56 HG23 ' O ' ' B' ' 68' ' ' THR . 7.2 t -89.48 113.6 24.99 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.471 -1.393 . . . . 0.0 109.578 -178.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.64 122.81 48.76 Favored 'General case' 0 N--CA 1.495 1.813 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.776 ' H ' ' ND2' ' B' ' 56' ' ' ASN . 75.5 t -129.7 83.82 63.2 Favored Pre-proline 0 N--CA 1.495 1.817 0 O-C-N 121.562 -0.711 . . . . 0.0 109.597 -179.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 91.0 Cg_endo -85.78 62.95 5.44 Favored 'Trans proline' 0 C--N 1.313 -1.342 0 C-N-CA 122.754 2.303 . . . . 0.0 111.328 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' TRP . . . . . 0.41 ' O ' ' C ' ' B' ' 73' ' ' PRO . 13.5 t90 -69.89 130.74 89.75 Favored Pre-proline 0 N--CA 1.489 1.524 0 N-CA-C 108.991 -0.744 . . . . 0.0 108.991 -179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' PRO . . . . . 0.41 ' C ' ' O ' ' B' ' 72' ' ' TRP . 84.9 Cg_exo -39.61 147.99 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.17 0 C-N-CA 121.371 1.38 . . . . 0.0 110.974 179.616 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ASN . . . . . 0.843 HD21 HE21 ' A' ' 52' ' ' GLN . 2.5 t-20 -132.12 -35.95 1.18 Allowed 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.293 -0.88 . . . . 0.0 109.331 -179.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.57 126.88 42.07 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' SER . . . . . . . . . . . . . 1.2 t -81.01 109.67 15.82 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 107.617 -1.253 . . . . 0.0 107.617 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 44.5 mt -77.16 138.62 39.59 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.555 0.693 . . . . 0.0 109.495 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' THR . . . . . 0.748 ' O ' HG23 ' B' ' 78' ' ' THR . 10.0 t -139.13 85.61 15.59 Favored Pre-proline 0 N--CA 1.494 1.731 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' PRO . . . . . 0.412 ' CD ' ' H ' ' B' ' 80' ' ' LYS . 17.5 Cg_endo -102.28 -44.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 123.676 2.917 . . . . 0.0 114.349 -179.622 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' LYS . . . . . 0.412 ' H ' ' CD ' ' B' ' 79' ' ' PRO . 55.8 tttm -79.86 -47.82 14.5 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.231 -0.918 . . . . 0.0 112.982 -176.08 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' TRP . . . . . 0.45 ' CD1' ' N ' ' B' ' 82' ' ' ASN . 4.2 p90 -82.93 -43.92 15.94 Favored 'General case' 0 N--CA 1.504 2.267 0 O-C-N 120.384 -1.448 . . . . 0.0 112.361 -177.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' ASN . . . . . 0.536 ' OD1' ' NH2' ' A' ' 41' ' ' ARG . 38.2 t30 -68.91 -40.06 79.31 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.391 -1.443 . . . . 0.0 110.752 -179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -59.99 -49.96 75.64 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 120.965 -1.084 . . . . 0.0 109.978 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -60.47 -42.04 95.43 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 120.851 -1.156 . . . . 0.0 109.831 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' THR . . . . . . . . . . . . . 77.6 p -69.87 -40.07 75.96 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.134 -0.979 . . . . 0.0 109.51 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -67.38 -40.04 85.69 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.139 -0.975 . . . . 0.0 109.779 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.04 -41.21 91.8 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.883 -1.136 . . . . 0.0 108.784 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -60.01 -43.6 95.14 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.818 -1.176 . . . . 0.0 108.167 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' TRP . . . . . 0.554 ' HE1' ' C ' ' A' ' 30' ' ' LEU . 66.5 t90 -59.97 -50.05 75.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.531 -0.73 . . . . 0.0 109.69 179.008 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -66.54 -40.64 89.17 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.36 -0.837 . . . . 0.0 109.375 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . 0.462 HH11 ' HG2' ' B' ' 91' ' ' ARG . 32.9 mtt-85 -65.18 -40.03 93.7 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.309 -0.869 . . . . 0.0 109.92 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -60.16 -43.29 95.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.98 -1.075 . . . . 0.0 108.838 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' VAL . . . . . . . . . . . . . 53.2 t -60.12 -40.8 84.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 O-C-N 121.356 -0.84 . . . . 0.0 109.509 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -59.98 -45.35 92.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.215 -0.928 . . . . 0.0 110.278 -179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -64.5 -40.37 95.54 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.939 -1.101 . . . . 0.0 109.579 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.8 -40.46 91.9 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 121.172 -0.955 . . . . 0.0 109.375 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.71 -42.7 99.78 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.049 -1.032 . . . . 0.0 109.2 179.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.98 -47.91 83.86 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.236 -0.915 . . . . 0.0 109.346 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' ASN . . . . . 0.471 ' ND2' ' NH2' ' A' ' 23' ' ' ARG . 28.3 t-20 -59.99 -44.65 94.38 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.35 -0.844 . . . . 0.0 108.984 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' ILE . . . . . . . . . . . . . 94.0 mt -60.15 -46.8 94.04 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 O-C-N 121.284 -0.885 . . . . 0.0 109.729 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' THR . . . . . . . . . . . . . 43.3 p -59.94 -41.97 93.0 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 120.944 -1.097 . . . . 0.0 109.296 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.05 -49.95 75.66 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.261 -0.899 . . . . 0.0 109.437 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 90.6 mt -60.02 -43.47 95.24 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.337 -0.852 . . . . 0.0 109.484 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' LEU . . . . . . . . . . . . . 86.7 mt -62.19 -41.71 98.6 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.21 -0.931 . . . . 0.0 109.443 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -59.99 -46.81 88.25 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.055 -1.028 . . . . 0.0 109.119 179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 62.4 mm-40 -62.76 -40.52 97.53 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.281 -0.887 . . . . 0.0 108.891 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.59 -43.78 97.0 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.313 -0.867 . . . . 0.0 109.462 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' GLN . . . . . 0.426 HE21 HD21 ' B' ' 18' ' ' LEU . 86.4 mm-40 -59.98 -48.35 82.05 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.057 -1.027 . . . . 0.0 108.862 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.28 -50.08 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.494 0 O-C-N 121.387 -0.821 . . . . 0.0 109.613 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 110' ' ' GLN . . . . . 0.44 HE22 ' NE2' ' A' ' 12' ' ' GLN . 88.8 mt-30 -68.8 -40.05 79.8 Favored 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.244 -0.91 . . . . 0.0 109.663 -179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 111' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -60.59 -49.73 76.38 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.214 -0.929 . . . . 0.0 109.432 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 112' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -66.11 -39.94 90.35 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.342 -0.848 . . . . 0.0 109.238 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 113' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -63.89 -40.08 95.68 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.267 -0.895 . . . . 0.0 109.893 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 114' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -65.41 -44.26 88.0 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.944 -1.097 . . . . 0.0 109.557 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 115' ' ' MET . . . . . . . . . . . . . 52.1 ttm -69.07 -39.92 78.79 Favored 'General case' 0 N--CA 1.485 1.306 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 179.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 116' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -60.04 -50.0 75.46 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 117' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -60.72 -40.0 90.71 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.149 -0.969 . . . . 0.0 109.397 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 118' ' ' LEU . . . . . . . . . . . . . 60.6 tp -60.01 -41.73 92.8 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 121.439 -0.788 . . . . 0.0 109.482 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' GLN . . . . . 0.464 ' O ' ' N ' ' B' ' 123' ' ' SER . 96.3 mt-30 -61.72 -40.69 95.94 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.089 -1.007 . . . . 0.0 109.607 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -59.98 -39.94 87.4 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.41 -0.806 . . . . 0.0 109.46 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' LEU . . . . . . . . . . . . . 90.5 mt -58.74 -46.42 87.47 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 107.741 -1.207 . . . . 0.0 107.741 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -125.6 61.04 1.24 Allowed 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.515 -0.741 . . . . 0.0 109.47 179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' SER . . . . . 0.464 ' N ' ' O ' ' B' ' 119' ' ' GLN . 2.3 p . . . . . 0 N--CA 1.497 1.875 0 O-C-N 121.04 -1.038 . . . . 0.0 109.137 179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -69.02 143.45 54.33 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.332 -0.855 . . . . 0.0 109.031 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' SER . . . . . . . . . . . . . 52.9 p -90.02 61.17 5.15 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.215 -0.928 . . . . 0.0 108.934 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' ARG . . . . . 0.432 ' HG3' HH11 ' C' ' 4' ' ' ARG . 34.3 mtm-85 -62.83 -39.92 95.8 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.488 -0.757 . . . . 0.0 109.235 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . 0.525 HG23 ' N ' ' C' ' 6' ' ' LEU . 8.2 t -60.02 -43.08 95.49 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.168 -0.958 . . . . 0.0 109.254 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' LEU . . . . . 0.525 ' N ' HG23 ' C' ' 5' ' ' THR . 58.9 tp -62.42 -40.22 95.86 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.047 -1.033 . . . . 0.0 109.42 179.501 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 30.2 mt -64.8 -39.21 93.23 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.287 -0.883 . . . . 0.0 109.992 179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.08 87.9 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.98 -1.075 . . . . 0.0 108.73 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.78 -47.41 61.25 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 108.672 -1.771 . . . . 0.0 108.672 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 96.8 mt -60.04 -48.81 86.44 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 121.372 -1.075 . . . . 0.0 108.933 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 78.6 t -59.96 -43.27 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.309 -0.869 . . . . 0.0 108.945 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.447 ' NE2' HE22 ' A' ' 110' ' ' GLN . 63.9 tt0 -61.59 -40.11 93.58 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.303 -0.873 . . . . 0.0 109.25 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -59.94 -41.95 92.95 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.204 -0.935 . . . . 0.0 109.524 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' GLN . . . . . 0.438 ' HG3' HE21 ' A' ' 14' ' ' GLN . 94.0 mt-30 -60.26 -42.06 94.58 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 120.958 -1.089 . . . . 0.0 109.084 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -59.98 -47.11 87.18 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.337 -0.852 . . . . 0.0 109.247 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -59.95 -42.39 93.96 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.294 -0.878 . . . . 0.0 109.72 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 87.3 mt -62.29 -43.06 99.69 Favored 'General case' 0 C--N 1.304 -1.398 0 O-C-N 121.236 -0.915 . . . . 0.0 108.865 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . 0.441 HD21 HE21 ' C' ' 108' ' ' GLN . 59.9 tp -60.06 -44.66 94.56 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.473 -0.767 . . . . 0.0 109.182 179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -59.94 -46.78 88.3 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.205 -0.934 . . . . 0.0 109.896 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' VAL . . . . . . . . . . . . . 77.9 t -60.14 -40.02 82.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.752 0 O-C-N 121.019 -1.05 . . . . 0.0 109.49 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.01 -41.81 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 121.193 -0.942 . . . . 0.0 108.474 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.67 -41.13 94.46 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.605 -0.684 . . . . 0.0 109.436 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' ARG . . . . . 0.462 ' NH2' ' ND2' ' A' ' 99' ' ' ASN . 32.0 mmt180 -60.72 -41.06 94.52 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.244 -0.91 . . . . 0.0 109.695 -179.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -60.15 -39.86 87.86 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.127 -0.983 . . . . 0.0 109.228 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -60.07 -46.12 90.61 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.255 -0.903 . . . . 0.0 109.21 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -64.98 -39.96 94.25 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.007 -1.058 . . . . 0.0 109.446 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' LEU . . . . . . . . . . . . . 23.4 tp -64.28 -40.08 95.25 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.313 -0.867 . . . . 0.0 109.184 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' LEU . . . . . . . . . . . . . 20.7 mt -60.26 -40.04 88.93 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.419 -0.801 . . . . 0.0 109.464 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.05 -40.32 93.17 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.247 -0.908 . . . . 0.0 109.599 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.565 ' C ' ' HE1' ' A' ' 89' ' ' TRP . 90.8 mt -63.23 -40.37 97.27 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.18 -0.95 . . . . 0.0 109.723 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' THR . . . . . . . . . . . . . 81.9 p -62.89 -39.96 96.08 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.091 -1.005 . . . . 0.0 109.363 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 78.2 t -62.51 -39.97 86.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.481 0 O-C-N 121.261 -0.899 . . . . 0.0 109.218 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -60.02 -42.33 94.11 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.221 -0.924 . . . . 0.0 110.05 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.17 -48.68 84.94 Favored Glycine 0 N--CA 1.488 2.128 0 N-CA-C 109.66 -1.376 . . . . 0.0 109.66 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' THR . . . . . . . . . . . . . 94.3 m -59.92 -50.04 75.33 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.163 -1.198 . . . . 0.0 110.025 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -61.26 -40.03 92.59 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.097 -1.002 . . . . 0.0 110.02 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' ASN . . . . . 0.475 HD21 HH21 ' C' ' 41' ' ' ARG . 42.8 t30 -60.05 -40.82 90.74 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.133 -0.979 . . . . 0.0 109.156 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 87.5 mt -60.69 -39.96 90.42 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.258 -0.901 . . . . 0.0 109.881 179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -60.05 -40.48 89.56 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.025 -1.047 . . . . 0.0 109.784 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' THR . . . . . . . . . . . . . 58.6 p -59.96 -40.2 88.22 Favored 'General case' 0 N--CA 1.487 1.386 0 O-C-N 120.972 -1.08 . . . . 0.0 108.419 179.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' ARG . . . . . 0.52 ' NH2' ' OD1' ' A' ' 82' ' ' ASN . 36.8 mtt-85 -69.01 -39.97 78.96 Favored 'General case' 0 C--N 1.303 -1.443 0 O-C-N 121.51 -0.744 . . . . 0.0 109.006 178.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.05 -42.59 90.32 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 O-C-N 121.256 -0.903 . . . . 0.0 108.681 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' THR . . . . . . . . . . . . . 56.2 p -60.06 -39.96 87.81 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.007 -1.058 . . . . 0.0 109.073 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.08 -43.86 95.2 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 179.386 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' ILE . . . . . . . . . . . . . 85.9 mt -60.04 -39.36 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 179.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -60.01 -39.95 87.57 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.144 -0.973 . . . . 0.0 109.396 -178.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -64.42 -40.12 95.16 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.891 -1.131 . . . . 0.0 109.713 179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 74' ' ' ASN . 55.0 m-85 -66.25 -39.72 89.7 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.974 -1.079 . . . . 0.0 109.518 179.463 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' LEU . . . . . 0.441 HD22 HE22 ' B' ' 52' ' ' GLN . 82.2 mt -60.03 -39.98 87.75 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.153 -0.967 . . . . 0.0 108.639 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -59.98 -40.01 87.64 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.862 -1.149 . . . . 0.0 108.665 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' C' ' 51' ' ' ASP . 37.5 t0 -59.99 -39.06 84.43 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.291 -0.881 . . . . 0.0 109.012 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . 0.799 HE21 HD21 ' A' ' 74' ' ' ASN . 18.9 mt-30 -60.02 -39.99 87.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.965 -1.084 . . . . 0.0 109.101 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.01 -39.93 75.67 Favored 'General case' 0 C--N 1.306 -1.309 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 179.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -60.1 -39.7 87.07 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 178.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 90.0 mt -68.42 114.76 7.13 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.315 -0.866 . . . . 0.0 108.775 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' ASN . . . . . 0.781 ' ND2' ' H ' ' C' ' 70' ' ' VAL . 75.0 m-80 -134.8 -65.55 0.63 Allowed 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.418 -0.801 . . . . 0.0 110.685 -179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.78 ' HB2' ' H ' ' B' ' 58' ' ' TRP . . . -153.93 116.31 4.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.283 -0.886 . . . . 0.0 109.763 -178.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 58' ' ' TRP . . . . . 0.762 ' H ' ' HB2' ' A' ' 57' ' ' ALA . 82.8 m95 -99.99 125.16 45.99 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.381 -0.824 . . . . 0.0 110.068 -179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 59' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' C' ' 61' ' ' ALA . . . 65.21 27.53 72.49 Favored Glycine 0 N--CA 1.489 2.207 0 C-N-CA 119.96 -1.114 . . . . 0.0 110.668 178.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 60' ' ' ALA . . . . . 0.48 ' HB2' ' HB1' ' C' ' 57' ' ' ALA . . . -75.93 22.72 0.14 Allowed 'General case' 0 C--N 1.303 -1.455 0 O-C-N 120.683 -1.48 . . . . 0.0 108.925 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 61' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' C' ' 59' ' ' GLY . . . -160.66 115.77 2.21 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.087 -1.008 . . . . 0.0 109.61 179.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 62' ' ' PHE . . . . . 0.452 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 32.6 m-85 -118.07 12.21 13.56 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 121.33 -0.857 . . . . 0.0 110.731 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . 0.422 ' HG3' HH11 ' C' ' 63' ' ' ARG . 2.5 ptm180 -137.61 24.67 2.89 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.056 -1.461 . . . . 0.0 107.056 177.605 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 64' ' ' GLN . . . . . 0.46 ' NE2' ' CG ' ' B' ' 62' ' ' PHE . 30.0 mt-30 -143.71 152.55 41.43 Favored 'General case' 0 N--CA 1.491 1.585 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 -179.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 65' ' ' VAL . . . . . . . . . . . . . 3.3 t -102.4 56.1 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.81 0 N-CA-C 108.062 -1.088 . . . . 0.0 108.062 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 66' ' ' ALA . . . . . . . . . . . . . . . -151.11 157.88 43.31 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.414 -0.804 . . . . 0.0 110.158 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 67' ' ' HIS . . . . . . . . . . . . . 23.7 m170 -129.96 134.92 47.77 Favored 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 68' ' ' THR . . . . . 0.571 ' O ' HG23 ' C' ' 68' ' ' THR . 7.4 t -89.43 113.42 24.76 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.512 -1.367 . . . . 0.0 109.581 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 69' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -112.44 122.71 48.49 Favored 'General case' 0 N--CA 1.495 1.791 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 70' ' ' VAL . . . . . 0.781 ' H ' ' ND2' ' C' ' 56' ' ' ASN . 78.0 t -129.78 84.01 62.4 Favored Pre-proline 0 N--CA 1.494 1.76 0 O-C-N 121.544 -0.723 . . . . 0.0 109.577 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 71' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -85.77 63.12 5.47 Favored 'Trans proline' 0 C--N 1.313 -1.298 0 C-N-CA 122.783 2.322 . . . . 0.0 111.399 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 72' ' ' TRP . . . . . . . . . . . . . 13.5 t90 -69.94 130.75 89.66 Favored Pre-proline 0 N--CA 1.489 1.522 0 O-C-N 121.531 -0.731 . . . . 0.0 109.042 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 73' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_exo -39.55 147.78 0.16 Allowed 'Trans proline' 0 N--CA 1.488 1.181 0 C-N-CA 121.386 1.391 . . . . 0.0 111.054 179.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 74' ' ' ASN . . . . . 0.818 HD21 HE21 ' B' ' 52' ' ' GLN . 2.5 t-20 -132.18 -35.65 1.19 Allowed 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.448 -0.783 . . . . 0.0 109.39 -179.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 75' ' ' ALA . . . . . . . . . . . . . . . -96.8 126.91 42.29 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 76' ' ' SER . . . . . . . . . . . . . 1.1 t -80.94 109.99 16.05 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 107.568 -1.271 . . . . 0.0 107.568 179.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 77' ' ' LEU . . . . . . . . . . . . . 45.6 mt -77.61 138.48 39.15 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.564 0.697 . . . . 0.0 109.402 -178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 78' ' ' THR . . . . . 0.72 HG23 ' O ' ' C' ' 78' ' ' THR . 10.0 t -139.0 85.63 15.81 Favored Pre-proline 0 N--CA 1.492 1.667 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 -179.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 79' ' ' PRO . . . . . 0.415 ' CD ' ' H ' ' C' ' 80' ' ' LYS . 17.8 Cg_endo -102.19 -44.5 0.01 OUTLIER 'Trans proline' 0 C--N 1.307 -1.612 0 C-N-CA 123.597 2.865 . . . . 0.0 114.328 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 80' ' ' LYS . . . . . 0.415 ' H ' ' CD ' ' C' ' 79' ' ' PRO . 55.5 tttm -79.46 -48.06 14.58 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.181 -0.949 . . . . 0.0 113.066 -176.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 81' ' ' TRP . . . . . 0.523 ' CE2' ' OG1' ' C' ' 78' ' ' THR . 4.2 p90 -82.66 -43.64 16.69 Favored 'General case' 0 N--CA 1.504 2.25 0 O-C-N 120.441 -1.412 . . . . 0.0 112.476 -177.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 82' ' ' ASN . . . . . 0.539 ' OD1' ' NH2' ' B' ' 41' ' ' ARG . 37.7 t30 -69.2 -40.06 78.27 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.336 -1.478 . . . . 0.0 110.786 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 83' ' ' ASN . . . . . . . . . . . . . 64.5 t-20 -60.0 -49.97 75.58 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.922 -1.111 . . . . 0.0 109.88 -179.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 84' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -60.53 -42.15 95.89 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.884 -1.135 . . . . 0.0 109.806 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 85' ' ' THR . . . . . . . . . . . . . 77.4 p -69.85 -39.91 76.1 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.154 -0.966 . . . . 0.0 109.512 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 86' ' ' TRP . . . . . . . . . . . . . 40.5 t-105 -67.46 -40.05 85.33 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.184 -0.948 . . . . 0.0 109.774 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -60.03 -41.27 91.88 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 120.8 -1.187 . . . . 0.0 108.763 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 88' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -60.0 -43.62 95.08 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.865 -1.147 . . . . 0.0 108.104 178.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 89' ' ' TRP . . . . . 0.591 ' HE1' ' C ' ' B' ' 30' ' ' LEU . 66.0 t90 -60.03 -50.08 75.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.46 -0.775 . . . . 0.0 109.578 179.124 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 90' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -66.35 -40.62 89.94 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.392 -0.817 . . . . 0.0 109.485 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . 0.453 HH11 ' HG2' ' C' ' 91' ' ' ARG . 32.8 mtt-85 -65.33 -39.93 93.06 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.2 -0.938 . . . . 0.0 109.93 179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 92' ' ' LYS . . . . . . . . . . . . . 51.6 tptt -60.28 -42.88 96.37 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 120.95 -1.094 . . . . 0.0 108.798 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 52.9 t -60.36 -41.02 85.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.401 -0.812 . . . . 0.0 109.421 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 94' ' ' ASP . . . . . . . . . . . . . 63.8 t0 -59.9 -45.12 93.56 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.279 -0.888 . . . . 0.0 110.429 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 95' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -64.55 -40.09 94.94 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.909 -1.119 . . . . 0.0 109.657 -179.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 90.5 mt -66.42 -40.4 89.52 Favored 'General case' 0 C--N 1.304 -1.399 0 C-N-CA 119.34 -0.944 . . . . 0.0 109.186 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 97' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -62.64 -42.81 99.81 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.109 -0.994 . . . . 0.0 109.104 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 98' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -59.93 -47.7 84.72 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.37 -0.831 . . . . 0.0 109.455 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 99' ' ' ASN . . . . . 0.492 ' ND2' ' NH2' ' B' ' 23' ' ' ARG . 27.8 t-20 -60.05 -44.47 94.67 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.318 -0.864 . . . . 0.0 109.051 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 100' ' ' ILE . . . . . . . . . . . . . 94.9 mt -60.26 -46.68 94.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.473 0 O-C-N 121.275 -0.891 . . . . 0.0 109.721 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 101' ' ' THR . . . . . . . . . . . . . 43.8 p -59.99 -42.01 93.29 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.024 -1.048 . . . . 0.0 109.18 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.99 75.48 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.282 -0.887 . . . . 0.0 109.522 179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 103' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.05 -43.22 95.55 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.286 -0.884 . . . . 0.0 109.614 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 104' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.35 -41.8 98.89 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.274 -0.891 . . . . 0.0 109.301 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 105' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -60.08 -46.47 89.47 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.185 -0.947 . . . . 0.0 108.908 179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 106' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -63.02 -40.08 96.67 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.282 -0.886 . . . . 0.0 109.041 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.07 -43.45 98.87 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.404 -0.81 . . . . 0.0 109.43 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 108' ' ' GLN . . . . . 0.441 HE21 HD21 ' C' ' 18' ' ' LEU . 86.4 mm-40 -60.09 -48.51 81.41 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.079 -1.013 . . . . 0.0 108.847 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 109' ' ' ILE . . . . . . . . . . . . . 89.7 mt -60.25 -49.98 82.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.412 0 O-C-N 121.35 -0.844 . . . . 0.0 109.726 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . 0.449 HE22 ' NE2' ' B' ' 12' ' ' GLN . 88.4 mt-30 -68.8 -40.21 79.69 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.142 -0.974 . . . . 0.0 109.512 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 111' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -60.45 -49.98 75.42 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.322 -0.861 . . . . 0.0 109.474 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 112' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -65.84 -40.03 91.37 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.287 -0.883 . . . . 0.0 109.277 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -63.9 -40.16 95.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.349 -0.844 . . . . 0.0 109.977 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 114' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -65.45 -44.12 88.25 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.026 -1.046 . . . . 0.0 109.443 -179.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 115' ' ' MET . . . . . . . . . . . . . 52.4 ttm -69.05 -40.0 78.82 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 108.358 -0.979 . . . . 0.0 108.358 179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 116' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -60.02 -49.99 75.5 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 121.483 -0.761 . . . . 0.0 109.175 179.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 117' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -60.7 -40.11 91.0 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.189 -0.944 . . . . 0.0 109.257 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 118' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.04 -41.67 92.76 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.292 -0.88 . . . . 0.0 109.398 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 119' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' C' ' 123' ' ' SER . 96.4 mt-30 -61.72 -40.78 96.26 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.065 -1.022 . . . . 0.0 109.612 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 120' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt -59.97 -39.5 85.88 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.437 -0.789 . . . . 0.0 109.763 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 121' ' ' LEU . . . . . . . . . . . . . 90.3 mt -58.96 -46.45 88.03 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 107.827 -1.175 . . . . 0.0 107.827 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 122' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -125.94 61.14 1.26 Allowed 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.61 -0.682 . . . . 0.0 109.408 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 123' ' ' SER . . . . . 0.462 ' N ' ' O ' ' C' ' 119' ' ' GLN . 2.3 p . . . . . 0 N--CA 1.495 1.798 0 O-C-N 120.998 -1.064 . . . . 0.0 109.098 179.43 . . . . . . . . 1 1 . 1 stop_ save_